SCHEMBL1313801

SCHEMBL1313801

C[Si](C)(C)CCOCn1c(C(=O)NCc2ccncc2)nc(Br)c1Br

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 1/20 0.40
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
MMP13 P45452 4/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 2/20 0.38
HTT P42858 2/20 0.38
MAPK14 Q16539 2/20 0.38
MMP2 P08253 1/20 0.38
STAT3 P40763 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL1313432 0.92 ALDH1A1 (0.44) ALDH1A1HSD17B10LMNASMN1; SMN2MAPT
SCHEMBL1314703 0.78 CNR2 (0.46) GAAMMP2GSK3B
SCHEMBL1314051 0.76 NPC1 (0.35) MAPTNPC1
SCHEMBL2990695 0.75 F11 (0.39) ALDH1A1SMN1; SMN2MAPTGAAPOLB
SCHEMBL3637434 0.73 NPC1 (0.33) MAPTNPC1
SCHEMBL26232084 0.73 NPY5R (0.40) ALDH1A1LMNASMN1; SMN2MAPTPOLB
SCHEMBL15888050 0.71 MMP13 (0.40) MAPTMMP13MMP2
SCHEMBL67719 0.68 DGAT1 (0.35) NPC1
SCHEMBL5213310 0.67 DGAT1 (0.37) NPC1
SCHEMBL1316068 0.67 NPC1 (0.35) MAPTNPC1

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 5 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
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

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.