SCHEMBL2292763

SCHEMBL2292763

COc1ccc(CC(=O)Nc2ccc3ncn(C(CC(=O)O)c4ccccc4)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 1/20 0.50
NLRP3 Q96P20 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
USP2 O75604 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
LMNA P02545 2/20 0.44

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
SCHEMBL2297605 0.93 SMN1; SMN2 (0.52) MAPTSMN1; SMN2ALDH1A1RAB9ANLRP3
SCHEMBL2294905 0.91 USP2 (0.51) MAPTSMN1; SMN2ALDH1A1RAB9AMEN1
SCHEMBL2294482 0.91 NAMPT (0.48) SMN1; SMN2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL5289381 0.90 ITGB1 (0.44) MAPTSMN1; SMN2RAB9ANLRP3KDM4E
SCHEMBL2298594 0.89 KMT2A (0.46) MAPTALDH1A1RAB9AHPGDMEN1
SCHEMBL2294562 0.88 MAPT (0.44) MAPTSMN1; SMN2ALDH1A1RAB9ANLRP3
SCHEMBL5289524 0.88 ITGB1 (0.44) MAPTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL5305927 0.88 BCHE (0.51) MAPTSMN1; SMN2ALDH1A1HPGDMEN1
SCHEMBL5294631 0.88 MEN1 (0.51) SMN1; SMN2HPGDMEN1KMT2ACYP2C9
SCHEMBL2299134 0.87 NPC1 (0.49) MAPTSMN1; SMN2ALDH1A1RAB9AHPGD

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 MAPT 4745/4885SMN1; SMN2 2159/4885ALDH1A1 1381/4885

“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.