SCHEMBL2296926

SCHEMBL2296926

Cc1ccccc1C(=O)Nc1ccc2c(c1)ncn2C(CC(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
FFAR1 O14842 2/20 0.48
NPC1 O15118 9/20 0.47
RAB9A P51151 9/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
F2R P25116 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.43
NOTUM Q6P988 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
GRM4 Q14833 1/20 0.43
MAPT P10636 1/20 0.42

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
SCHEMBL2297485 0.93 KMT2A (0.47) KMT2AMEN1FFAR1NPC1RAB9A
SCHEMBL2297504 0.92 FFAR1 (0.48) KMT2AMEN1FFAR1NPC1RAB9A
SCHEMBL2294509 0.90 TRPV1 (0.48) KMT2AMEN1FFAR1NPC1RAB9A
SCHEMBL2295816 0.89 RAB9A (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2295353 0.89 RAB9A (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2295817 0.88 FADS1 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2296307 0.88 NPC1 (0.46) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2293994 0.88 NPC1 (0.47) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2297464 0.87 RAB9A (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL2295674 0.87 NPC1 (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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 KMT2A 3680/4885MEN1 2656/4885FFAR1 1549/4885

“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.