SCHEMBL2299134

SCHEMBL2299134

COc1ccc(C(=O)Nc2ccc3ncn(C(CC(=O)O)c4ccccc4)c3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.49
RAB9A P51151 7/20 0.49
KCNK9 Q9NPC2 1/20 0.48
ADORA3 P0DMS8 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.45
ALDH1A1 P00352 6/20 0.45
MAPT P10636 5/20 0.45
TP53 P04637 4/20 0.45
OPRD1 P41143 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 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
SCHEMBL2299767 0.93 SMN1; SMN2 (0.51) NPC1RAB9AKCNK9ADORA3SMN1; SMN2
SCHEMBL2294478 0.90 NPC1 (0.48) NPC1RAB9AKCNK9SMN1; SMN2MAPT
SCHEMBL2297422 0.90 KMT2A (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2292564 0.90 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL2299394 0.89 F2 (0.44) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2299812 0.89 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2292514 0.88 RAB9A (0.47) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2297644 0.88 NPC1 (0.48) NPC1RAB9AKCNK9KMT2AACSS2
SCHEMBL2297005 0.88 MAPT (0.49) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL2296047 0.88 NPC1 (0.42) NPC1RAB9ASMN1; SMN2MAPTTP53

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.