SCHEMBL1313432

SCHEMBL1313432

Cc1c(Br)nc(C(=O)NCc2ccncc2)n1COCC[Si](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 3/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MMP13 P45452 3/20 0.41
HTT P42858 2/20 0.41
MAPK14 Q16539 2/20 0.41
MMP2 P08253 1/20 0.41
CYP3A4 P08684 1/20 0.41
STAT3 P40763 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.39
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
PIK3CA P42336 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
SCHEMBL1313801 0.92 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNAGAAMAPK1
SCHEMBL1314703 0.86 CNR2 (0.46) GAAMMP2GSK3B
SCHEMBL1317163 0.82 LMNA (0.43) ALDH1A1LMNAGAAMAPK1SMN1; SMN2
SCHEMBL1316068 0.76 NPC1 (0.35) MAPT
SCHEMBL15888050 0.76 MMP13 (0.40) MMP13MMP2MAPT
SCHEMBL1316234 0.74 MMP13 (0.50) MMP13MMP2MAPT
SCHEMBL16153169 0.74 KLKB1 (0.35) GAAMMP2GSK3B
SCHEMBL1313949 0.74 MMP13 (0.65) MMP13
SCHEMBL1315726 0.73 MAPT (0.35) ALDH1A1GAAMAPK1SMN1; SMN2HTT
SCHEMBL26232084 0.73 NPY5R (0.40) ALDH1A1LMNASMN1; SMN2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2340243-B1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-08 EP disclosed
EP-2340243-B1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2014-10-08 EP disclosed
US-8785489-B2 Heteroaryl substituted indole compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 US disclosed
US-8785489-B2 Heteroaryl substituted indole compounds useful as MMP-13 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-22 US disclosed
US-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2340243-A1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2011-07-06 EP disclosed
WO-2010045188-A1 HETEROARYL SUBSTITUTED INDOLE COMPOUNDS USEFUL AS MMP-13 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-22 WO 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 (1 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-20110275631-A1 Heteroaryl Substituted Indole Compounds Useful as MMP-13 Inhibitors MMP13, MMP3, MMP11 ALDH1A1 311/4885HSD17B10 525/4885LMNA 1566/4885

“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.