SCHEMBL2295684

SCHEMBL2295684

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 4/20 0.46
RAB9A P51151 2/20 0.46
THRB P10828 2/20 0.46
HTT P42858 2/20 0.45
GAA P10253 2/20 0.44
NCOA1 Q15788 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.42
SLC12A2 P55011 1/20 0.42
SLC12A5 Q9H2X9 1/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL2294756 0.89 ALDH1A1 (0.50) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL5297755 0.88 TRPV1 (0.44) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL2297360 0.86 MEN1 (0.44) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL2295598 0.86 MEN1 (0.43) MEN1KMT2AMAPTRAB9AHTT
SCHEMBL2295180 0.86 SMN1; SMN2 (0.47) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL2291367 0.85 ALOX5 (0.49) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL2297466 0.85 KMT2A (0.47) MEN1KMT2AMAPTRAB9APOLB
SCHEMBL2294479 0.85 FADS1 (0.46) ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL2297504 0.85 FFAR1 (0.48) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL2298688 0.85 NPC1 (0.48) MEN1KMT2AMAPTALDH1A1RAB9A

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 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
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP 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
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 3680/4885MAPT 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.