SCHEMBL799897

SCHEMBL799897

Cc1cccc2sc(C(C)(C)C)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
MAPT P10636 6/20 0.45
PKM P14618 1/20 0.43
CASR P41180 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
KDM4E B2RXH2 3/20 0.40
ALOX15 P16050 2/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
MCL1 Q07820 1/20 0.40
ESR2 Q92731 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 1/20 0.40
ACHE P22303 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28392628 0.81 CASR (0.40) ALDH1A1CASRGAAMEN1KMT2A
SCHEMBL10219889 0.80 LMNA (0.56) ALDH1A1MAPTPKMCASRGAA
SCHEMBL10220008 0.80 SMN1; SMN2 (0.56) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL799874 0.77 ALDH1A1 (0.61) ALDH1A1MAPTCASRGAAMEN1
SCHEMBL1748098 0.76 ALDH1A1 (0.66) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL3918916 0.75 ALDH1A1 (0.63) ALDH1A1MAPTPKMGAAMEN1
Iodide SCHEMBL1770191 0.75 ALDH1A1 (0.63) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL14127197 0.75 ALDH1A1 (0.63) ALDH1A1MAPTPKMGAAMEN1
SCHEMBL20043171 0.74 HSD17B10 (0.41) ALDH1A1MAPTCASRGAAKDM4E
SCHEMBL13401026 0.74 HSD17B10 (0.58) ALDH1A1MAPTCASRGAAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-31 US disclosed
US-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2023-08-31 US disclosed
US-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 US disclosed
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2023-05-11 US disclosed
US-20200255422-A1 INHIBITORS OF TRIM33 AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-08-13 US disclosed
US-20180179225-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-06-28 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 US disclosed
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2016-04-14 US disclosed
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-7863291-B2 Quinuclidine compounds as alpha-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-04 US disclosed
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-12-30 US disclosed
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 US disclosed
US-7795282-B2 Mitotic kinesin inhibitors and methods of use thereof ARRAY BIOPHARMA INC. (US) 2010-09-14 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2008-02-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885MAPT 268/4885PKM 4123/4885
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885MAPT 268/4885PKM 4123/4885
US-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 ALDH1A1 3246/4885MAPT 1086/4885PKM 2098/4885
US-20120035178-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885MAPT 268/4885PKM 4123/4885
US-20230145071-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 ALDH1A1 4701/4885MAPT 3525/4885PKM 4183/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885MAPT 268/4885PKM 4123/4885
US-20160101104-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 ALDH1A1 1082/4885MAPT 268/4885PKM 4123/4885
US-20200255422-A1 INHIBITORS OF TRIM33 AND METHODS OF USE TRIM33, TRIM28, TRIM4 ALDH1A1 3246/4885MAPT 1086/4885PKM 2098/4885
US-20230271969-A1 NITROGEN-CONTAINING FUSED RING DERIVATIVE INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF NR5A1, WEE1, SHBG ALDH1A1 1091/4885MAPT 4121/4885PKM 750/4885
US-20100331283-A1 Mitotic kinesin inhibitors and methods of use thereof KIF5B, KIF2C, KIFC1 ALDH1A1 2827/4885MAPT 122/4885PKM 443/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 ALDH1A1 814/4885MAPT 3014/4885PKM 2944/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 ALDH1A1 1032/4885MAPT 2141/4885PKM 2334/4885
US-20180179225-A1 ANTIMICROBIAL AGENTS CFTR, MRPL21, ARG1 ALDH1A1 1945/4885MAPT 4729/4885PKM 4372/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.