SCHEMBL2294002

SCHEMBL2294002

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
THRA P10827 1/20 0.48
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
IRAK4 Q9NWZ3 3/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL2296407 0.93 MEN1 (0.50) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2291367 0.93 ALOX5 (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2297466 0.91 KMT2A (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2295703 0.89 MEN1 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2294478 0.88 NPC1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2296333 0.86 NPC1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2297360 0.86 MEN1 (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2299482 0.86 ALDH1A1 (0.53) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL5299184 0.86 ALOX5 (0.49) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2294506 0.85 CBLB (0.42) MEN1KMT2ANPC1RAB9AMAPT

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 7 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
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed

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 3680/4885NPC1 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.