SCHEMBL2297504

SCHEMBL2297504

Cc1ccccc1C(=O)Nc1ccc2ncn(C(CC(=O)O)c3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
F2R P25116 1/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.43
NOTUM Q6P988 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
GRM4 Q14833 1/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 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
SCHEMBL2295055 0.93 KDR (0.47) FFAR1NPC1RAB9AF2RMAPT
SCHEMBL2296926 0.92 KMT2A (0.49) FFAR1NPC1RAB9AF2RMAPT
SCHEMBL2295555 0.90 TRPV1 (0.46) FFAR1NPC1RAB9ASMN1; SMN2NOTUM
SCHEMBL2295598 0.89 MEN1 (0.43) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL2298688 0.88 NPC1 (0.48) NPC1RAB9AF2RMAPTSMN1; SMN2
SCHEMBL2294479 0.88 FADS1 (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL2296443 0.88 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2HPGD
SCHEMBL2292686 0.87 NPC1 (0.37) FFAR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL2294746 0.87 PLG (0.43) NPC1RAB9AMAPTSMN1; SMN2NOTUM
SCHEMBL2294478 0.87 NPC1 (0.48) NPC1RAB9AMAPTSMN1; SMN2KCNK3

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 FFAR1 1549/4885NPC1 2770/4885RAB9A 1893/4885

“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.