SCHEMBL2296510

SCHEMBL2296510

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3cc(Cl)ccc3O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 7/20 0.50
P2RX1 P51575 8/20 0.47
P2RX4 Q99571 3/20 0.47
P2RX7 Q99572 3/20 0.47
KCNMA1 Q12791 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
SLC2A1 P11166 1/20 0.41

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
SCHEMBL2297569 0.94 TMPRSS4 (0.49) TMPRSS4P2RX1P2RX4P2RX7KCNMA1
SCHEMBL2297522 0.91 RAB9A (0.44) P2RX1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2295353 0.91 RAB9A (0.45) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL5291854 0.89 RAB9A (0.41) TMPRSS4NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5288993 0.89 PTGS1 (0.49)
SCHEMBL2296222 0.89 RAB9A (0.42) TMPRSS4P2RX1NPC1RAB9ASMN1; SMN2
SCHEMBL2295278 0.86 MEN1 (0.45) TMPRSS4P2RX1KCNMA1NPC1RAB9A
SCHEMBL2295816 0.85 RAB9A (0.45) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2297464 0.84 RAB9A (0.44) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2295674 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2TP53LMNA

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 TMPRSS4 969/4885P2RX1 394/4885P2RX4 513/4885

“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.