SCHEMBL2297605

SCHEMBL2297605

COc1ccc(CC(=O)Nc2ccc3c(c2)ncn3C(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
NLRP3 Q96P20 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 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
AKR1C3 P42330 1/20 0.46
LMNA P02545 2/20 0.46
KLK7 P49862 1/20 0.46
NPC1 O15118 1/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46

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
SCHEMBL2292763 0.93 MAPT (0.50) SMN1; SMN2HPGDMAPTALDH1A1RAB9A
SCHEMBL2291248 0.91 USP2 (0.51) SMN1; SMN2HPGDMAPTALDH1A1RAB9A
SCHEMBL2291392 0.91 KMT2A (0.51) SMN1; SMN2HPGDALDH1A1RAB9AKMT2A
SCHEMBL5305129 0.90 NPC1 (0.49) SMN1; SMN2MAPTRAB9ANLRP3KMT2A
SCHEMBL2297135 0.89 KMT2A (0.46) SMN1; SMN2HPGDALDH1A1RAB9AKMT2A
SCHEMBL5300999 0.89 SMN1; SMN2 (0.50) SMN1; SMN2HPGDMAPTALDH1A1RAB9A
SCHEMBL2299814 0.88 LMNA (0.45) SMN1; SMN2MAPTALDH1A1RAB9ANLRP3
SCHEMBL5300929 0.88 KMT2A (0.51) SMN1; SMN2HPGDMAPTALDH1A1RAB9A
SCHEMBL5303427 0.88 BCHE (0.51) SMN1; SMN2HPGDMAPTALDH1A1RAB9A
SCHEMBL5307759 0.88 KDR (0.44) SMN1; SMN2HPGDMAPTALDH1A1RAB9A

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 SMN1; SMN2 2159/4885HPGD 2856/4885MAPT 4745/4885

“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.