SCHEMBL2291367

SCHEMBL2291367

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.49
ITGB3 P05106 1/20 0.46
ITGA2 P17301 1/20 0.46
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39

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
SCHEMBL2294002 0.93 MEN1 (0.50) MEN1KMT2ASMN1; SMN2L3MBTL1PKM
SCHEMBL5299184 0.93 ALOX5 (0.49) ALOX5ITGB3ITGA2MEN1KMT2A
SCHEMBL2297466 0.93 KMT2A (0.47) MEN1KMT2ANPC1RAB9AMITF
SCHEMBL2294478 0.88 NPC1 (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2297360 0.86 MEN1 (0.44) MEN1KMT2ASMN1; SMN2L3MBTL1PKM
SCHEMBL2296407 0.86 MEN1 (0.50) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL2295718 0.85 KMT2A (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2295684 0.85 MEN1 (0.46) MEN1KMT2ASMN1; SMN2RAB9APOLB
SCHEMBL2294711 0.84 ALDH1A1 (0.47) MEN1KMT2ASMN1; SMN2L3MBTL1PKM
SCHEMBL2299394 0.84 F2 (0.44) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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 ALOX5 2156/4885ITGB3 10/4885ITGA2 8/4885

“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.