SCHEMBL758406

SCHEMBL758406

Brc1ccc(-c2cc[nH]n2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
KDM4E B2RXH2 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RXFP1 Q9HBX9 3/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
PPARG P37231 2/20 0.41
NCOA2 Q15596 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX12 P18054 2/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL29816625 0.77 NPC1 (0.42) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL2053083 0.75 CYP2A6 (0.40) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL2053307 0.75
SCHEMBL2052940 0.72 MAPK13 (0.32) MAPK13GCGRMAPK12MAPK11MAPK14
SCHEMBL1673128 0.71
SCHEMBL197157 0.71 SNCA (0.50) MAPTKDM4ERAB9ASMN1; SMN2RXFP1
SCHEMBL15457048 0.71 KDM4E (0.32) KDM4EALDH1A1HPGDKMT2A
SCHEMBL5903745 0.71 KDM1A (0.40)
SCHEMBL5903992 0.69 KDM4E (0.51) KDM4ERAB9AALDH1A1HPGDMEN1
SCHEMBL498474 0.69 SNCA (0.48) MAPTKDM4ERAB9ASMN1; SMN2RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4486444-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. Hoffmann-La Roche AG (CH) 2025-01-08 EP disclosed
WO-2023165943-A1 3-ALKYNYL CARBOXAMIDES AS AEP MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2023-09-07 WO disclosed
US-9440969-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2016-09-13 US disclosed
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2015-03-19 US disclosed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US disclosed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US disclosed
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2011-07-28 US disclosed
WO-2011079133-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2011-06-30 WO disclosed
US-20070282101-A1 Indazole compounds ABBVIE INC. 2007-12-06 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 (4 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-20070282101-A1 Indazole compounds CYP3A43, CYP3A7, UGT1A1 MAPT 2375/4885KDM4E 3676/4885RAB9A 740/4885
US-20110183988-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS MAPT 2986/4885KDM4E 3625/4885RAB9A 1340/4885
US-20150080372-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR BRAF, ARAF, NRAS MAPT 2986/4885KDM4E 3625/4885RAB9A 1340/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 MAPT 2375/4885KDM4E 3676/4885RAB9A 740/4885

“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.