SCHEMBL2299767

SCHEMBL2299767

COc1ccc(C(=O)Nc2ccc3c(c2)ncn3C(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 12/20 0.49
RAB9A P51151 12/20 0.49
KCNK9 Q9NPC2 1/20 0.48
AKR1C3 P42330 1/20 0.47
TP53 P04637 3/20 0.46
ADORA3 P0DMS8 1/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.45
PRNP P04156 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 2/20 0.45
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL2299134 0.93 NPC1 (0.49) SMN1; SMN2HPGDNPC1RAB9AKCNK9
SCHEMBL5300999 0.91 SMN1; SMN2 (0.50) SMN1; SMN2HPGDNPC1RAB9AAKR1C3
SCHEMBL2295674 0.90 NPC1 (0.56) SMN1; SMN2HPGDNPC1RAB9ATP53
SCHEMBL2296039 0.90 NPC1 (0.52) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL2294968 0.90 NPC1 (0.59) SMN1; SMN2HPGDNPC1RAB9ATP53
SCHEMBL5298078 0.89 NPC1 (0.48) SMN1; SMN2NPC1RAB9ATP53MEN1
SCHEMBL2294143 0.89 NPC1 (0.53) SMN1; SMN2HPGDNPC1RAB9ATP53
SCHEMBL2296016 0.89 NPC1 (0.50) SMN1; SMN2HPGDNPC1RAB9ATP53
SCHEMBL2292563 0.88 RAB9A (0.50) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL2298233 0.88 NPC1 (0.55) SMN1; SMN2NPC1RAB9AKCNK9TP53

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 SMN1; SMN2 2159/4885HPGD 2856/4885NPC1 2770/4885

“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.