SCHEMBL2292686

SCHEMBL2292686

O=Cc1ccccc1C(=O)Nc1ccc2ncn(C(CC(=O)O)c3ccccc3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 1/20 0.37
OPRL1 P41146 1/20 0.36
MAPT P10636 6/20 0.35
TP53 P04637 3/20 0.35
KMT2A Q03164 2/20 0.35
NOTUM Q6P988 2/20 0.35
FFAR1 O14842 1/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2297523 0.93 RAB9A (0.43) NPC1RAB9ASMN1; SMN2LMNAOPRL1
SCHEMBL2295598 0.88 MEN1 (0.43) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2294479 0.87 FADS1 (0.46) NPC1RAB9ASMN1; SMN2LMNAOPRL1
SCHEMBL2297504 0.87 FFAR1 (0.48) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2298688 0.87 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL5279323 0.86 OPRL1 (0.37) NPC1RAB9ASMN1; SMN2LMNAOPRL1
SCHEMBL2294478 0.86 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2295379 0.86 NR1H4 (0.47) NPC1RAB9AMAPTTP53KMT2A
SCHEMBL2296443 0.85 NPC1 (0.47) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2295055 0.85 KDR (0.47) NPC1RAB9ASMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US claimed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed

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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 NPC1 2770/4885RAB9A 1893/4885SMN1; SMN2 2159/4885

“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.