SCHEMBL2297644

SCHEMBL2297644

CC(C)(C)c1ccc(C(=O)Nc2ccc3ncn(C(CC(=O)O)c4ccccc4)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KCNK9 Q9NPC2 1/20 0.47
NR1H4 Q96RI1 7/20 0.45
TRPV1 Q8NER1 6/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ACSS2 Q9NR19 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL2298233 0.93 NPC1 (0.55) NPC1RAB9AKCNK9NR1H4TRPV1
SCHEMBL2294478 0.91 NPC1 (0.48) NPC1RAB9AKCNK9MEN1KMT2A
SCHEMBL2296935 0.91 ALDH1A1 (0.46) NPC1RAB9ANR1H4TRPV1MEN1
SCHEMBL2297422 0.90 KMT2A (0.46) NPC1RAB9AMEN1KMT2AACSS2
SCHEMBL2292564 0.90 NPC1 (0.51) NPC1RAB9AMEN1KMT2AACSS2
SCHEMBL2299394 0.89 F2 (0.44) NPC1RAB9ANR1H4MEN1KMT2A
SCHEMBL2299812 0.89 NPC1 (0.45) NPC1RAB9AMEN1KMT2AACSS2
SCHEMBL2292514 0.89 RAB9A (0.47) NPC1RAB9ATRPV1MEN1KMT2A
SCHEMBL2297005 0.89 MAPT (0.49) NPC1RAB9ATRPV1MEN1KMT2A
SCHEMBL2296047 0.89 NPC1 (0.42) NPC1RAB9AMEN1KMT2AACSS2

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 1893/4885KCNK9 2334/4885

“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.