SCHEMBL2297513

SCHEMBL2297513

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3cc(Br)ccc3O)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.41
ALOX15 P16050 1/20 0.41
CYP1A2 P05177 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
PLAT P00750 1/20 0.40
P2RX1 P51575 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HDAC3 O15379 1/20 0.38
EGFR P00533 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL2296222 0.94 RAB9A (0.42) PLAUALOX15CYP1A2F2F10
SCHEMBL2296479 0.91 NPC1 (0.39) ALOX15P2RX1TMPRSS4NPC1RAB9A
SCHEMBL2295598 0.90 MEN1 (0.43) PLAUALOX15P2RX1NPC1RAB9A
SCHEMBL2297569 0.89 TMPRSS4 (0.49) P2RX1TMPRSS4
SCHEMBL2295555 0.88 TRPV1 (0.46) NPC1RAB9ALMNASMN1; SMN2PTGFR
SCHEMBL2293976 0.88 PTGDR2 (0.42) NPC1RAB9AHDAC1MAPTPTGFR
SCHEMBL5279323 0.88 OPRL1 (0.37) ALOX15TMPRSS4NPC1RAB9AHDAC3
SCHEMBL2297005 0.87 MAPT (0.49) NPC1RAB9ASMN1; SMN2MAPTSAE1
SCHEMBL2298688 0.87 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2297360 0.86 MEN1 (0.44) PLAUCYP1A2F10PLATP2RX1

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 PLAU 494/4885ALOX15 3007/4885CYP1A2 4257/4885

“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.