SCHEMBL2297360

SCHEMBL2297360

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
MAPT P10636 5/20 0.44
PKM P14618 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PAX8 Q06710 1/20 0.44
F10 P00742 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KCNMA1 Q12791 2/20 0.42
P2RX1 P51575 2/20 0.42
TMPRSS4 Q9NRS4 1/20 0.42
STK39 Q9UEW8 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
TNF P01375 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2295278 0.94 MEN1 (0.45) MEN1KMT2AMAPTPKMNPSR1
SCHEMBL2297466 0.88 KMT2A (0.47) MEN1KMT2AMAPTNPC1POLB
SCHEMBL2296479 0.88 NPC1 (0.39) MEN1KMT2ANPC1P2RX1TMPRSS4
SCHEMBL2295598 0.86 MEN1 (0.43) MEN1KMT2AMAPTNPSR1NPC1
SCHEMBL2294002 0.86 MEN1 (0.50) MEN1KMT2AMAPTPKMNPC1
SCHEMBL2295684 0.86 MEN1 (0.46) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2291367 0.86 ALOX5 (0.49) MEN1KMT2AMAPTPKMNPC1
SCHEMBL2297569 0.86 TMPRSS4 (0.49) KCNMA1P2RX1TMPRSS4
SCHEMBL2297513 0.86 PLAU (0.41) MAPTNPC1HSP90AA1F10PLAU
SCHEMBL5279323 0.84 OPRL1 (0.37) MEN1KMT2ANPC1TMPRSS4LMNA

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 MEN1 2656/4885KMT2A 3680/4885MAPT 4745/4885

“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.