SCHEMBL799889

SCHEMBL799889

CC(C)(C)c1nc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
NPC1 O15118 7/20 0.56
KDM4E B2RXH2 3/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALOX12 P18054 2/20 0.51
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LTA4H P09960 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ABL1 P00519 1/20 0.49
CYP19A1 P11511 1/20 0.49
EGFR P00533 1/20 0.48
KDM1A O60341 3/20 0.47
MAOA P21397 2/20 0.47

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
SCHEMBL12282550 0.85 RAB9A (0.54) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL22824875 0.83 MAPT (0.42) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL2225043 0.82 RAB9A (0.49) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL2228103 0.82 RAB9A (0.49) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL12282347 0.82 LTA4H (0.58) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL19625353 0.82 ATP4A (0.49) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL26014382 0.82 RAB9A (0.58) RAB9ANPC1KDM4ESMN1; SMN2MAPT
SCHEMBL19625300 0.82 RAB9A (0.56) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL19625332 0.82 RAB9A (0.58) RAB9ANPC1KDM4ELMNASMN1; SMN2
SCHEMBL799900 0.81 ALDH1A1 (0.55) RAB9ANPC1KDM4ELMNASMN1; SMN2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472360-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-11-12 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 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-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2014-11-20 US disclosed
US-8822472-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2014-09-02 US disclosed
US-8309577-B2 Quinuclidine compounds as α-7 nicotinic acetylcholine receptor ligands BRISTOL-MYERS SQUIBB COMPANY (US) 2012-11-13 US disclosed
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CORNERSTONE THERAPEUTICS, INC. (US) 2012-03-22 US disclosed
US-8026195-B2 Fungicidal N-cycloalkyl-carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2011-09-27 US disclosed
US-7943622-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2011-05-17 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090326016-A1 FUNGICIDAL N-CYCLOALKYL-CARBOXAMIDE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-12-31 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 (7 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 RAB9A 333/4885NPC1 896/4885KDM4E 3667/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 RAB9A 3162/4885NPC1 2489/4885KDM4E 3779/4885
US-10472360-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, CTNNB1 RAB9A 3162/4885NPC1 2489/4885KDM4E 3779/4885
US-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA2 RAB9A 1898/4885NPC1 1706/4885KDM4E 3410/4885
US-20120071652-A1 Novel Piperazines, Pharmaceutical Compositions and Methods of Use Thereof CHRNA7, CHRNA5, CHRNA2 RAB9A 1898/4885NPC1 1706/4885KDM4E 3410/4885
US-20090326016-A1 FUNGICIDAL N-CYCLOALKYL-CARBOXAMIDE DERIVATIVES CBR3, CBR1, CYCS RAB9A 3331/4885NPC1 1902/4885KDM4E 1235/4885
US-20080051415-A1 Novel piperazines, pharmaceutical compositions and methods of use thereof CHRNA7, CHRNA5, CHRNA2 RAB9A 1898/4885NPC1 1706/4885KDM4E 3410/4885

“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.