SCHEMBL14072020

SCHEMBL14072020

O=C(O)c1ncc(-c2ccc(F)cc2)c(=O)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.43
BRS3 P32247 1/20 0.42
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
MAPK14 Q16539 2/20 0.39
GCGR P47871 1/20 0.39
CA12 O43570 1/20 0.39
ALPL P05186 1/20 0.39
RPA1 P27694 1/20 0.39
ERCC1 P07992 1/20 0.38
ERCC4 Q92889 1/20 0.38
RAB9A P51151 1/20 0.38
PTGER2 P43116 1/20 0.37
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
ADORA1 P30542 1/20 0.37
NR4A2 P43354 1/20 0.37
KDM4E B2RXH2 1/20 0.37
RXFP1 Q9HBX9 2/20 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
SCHEMBL14081814 0.81 ESR1 (0.38) MAPK14ADORA1
SCHEMBL14072045 0.81 SMN1; SMN2 (0.49) MAP4K4BRS3ALPLRAB9ATNKS
SCHEMBL7708428 0.76 NOS1 (0.51) MAP4K4MAPK14ERCC1ERCC4RAB9A
SCHEMBL31118175 0.74 KDM4E (0.40) KDM4EALDH1A1LMNA
SCHEMBL14072042 0.71 MET (0.44) RAB9AKDM4ENPC1ALDH1A1LMNA
SCHEMBL8195968 0.71 ALDH1A1 (0.61) RAB9AKDM4ERXFP1NPC1ALDH1A1
SCHEMBL27385615 0.69 DAO (0.45) LMNA
SCHEMBL26120504 0.68 KMO (0.51) MAP4K4BCL2L1BADMAPK14CA12
SCHEMBL26349912 0.68 KMO (0.48) ALPLKDM4EALDH1A1LMNAHPGD
SCHEMBL31118117 0.67 KDM6B (0.36) KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008109178-A1 METALLOPROTEASE INHIBITORS CONTAINING A SQUARAMIDE MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
WO-2008109181-A2 METALLOPROTEASE INHIBITORS CONTAINING A HETEROCYCLIC MOIETY ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-09-12 WO disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 US disclosed
US-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-09-11 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 (2 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-20080221128-A1 Metalloprotease inhibitors containing a squaramide moiety MMP11, MMP13, MMP14 MAP4K4 3860/4885BRS3 336/4885BCL2L1 2778/4885
US-20080221095-A1 Metalloprotease inhibitors containing a heterocyclic moiety MMP13, MMP11, MMP3 MAP4K4 3811/4885BRS3 371/4885BCL2L1 2232/4885

“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.