SCHEMBL2296523

SCHEMBL2296523

Cc1cccc(C(=O)Nc2ccc3ncn(C(CC(=O)O)c4ccccc4)c3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.54
RAB9A P51151 6/20 0.54
KCNK3 O14649 7/20 0.48
KCNK9 Q9NPC2 7/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 2/20 0.48
TP53 P04637 2/20 0.47
FFAR1 O14842 1/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KCNH2 Q12809 1/20 0.46
MAPT P10636 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 1/20 0.43
NT5E P21589 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL2291378 0.93 NPC1 (0.62) NPC1RAB9AKCNK3KCNK9MEN1
SCHEMBL2294478 0.91 NPC1 (0.48) NPC1RAB9AKCNK3KCNK9MEN1
SCHEMBL2292564 0.90 NPC1 (0.51) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2296333 0.90 NPC1 (0.41) NPC1RAB9AKCNK3KCNK9MEN1
SCHEMBL2298655 0.89 RAB9A (0.48) NPC1RAB9ATP53L3MBTL1MAPT
SCHEMBL2294506 0.89 CBLB (0.42) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL2299812 0.87 NPC1 (0.45) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL2292260 0.87 NPC1 (0.40) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2297422 0.87 KMT2A (0.46) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2293477 0.86 HPSE (0.44)

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 NPC1 2770/4885RAB9A 1893/4885KCNK3 1691/4885

“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.