SCHEMBL2295010

SCHEMBL2295010

CCOC(=O)C=C(c1ccccc1)n1cnc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.48
ALDH1A1 P00352 5/20 0.47
PKM P14618 1/20 0.45
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
MITF O75030 1/20 0.44
XBP1 P17861 1/20 0.44
HTT P42858 1/20 0.44
MDM2 Q00987 1/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
NPBWR1 P48145 1/20 0.43
RAB9A P51151 1/20 0.43
MCHR1 Q99705 1/20 0.43
F2 P00734 3/20 0.42
PLAU P00749 3/20 0.42
CTRB1 P17538 3/20 0.42
TBXA2R P21731 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
SCHEMBL2297318 0.92 MAPT (0.47) ELANEALDH1A1PKMMAPTLMNA
SCHEMBL12380644 0.83 ALDH1A1 (0.47) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL2292007 0.77 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL2292012 0.77 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1HPGD
SCHEMBL2295013 0.76 ALDH1A1 (0.50) ELANEALDH1A1PKMMAPTLMNA
SCHEMBL19911386 0.72 ALDH1A1 (0.55) ALDH1A1PKMMAPTLMNAMITF
SCHEMBL11218903 0.71 CES2 (0.53) ELANEALDH1A1PKMMAPTKMT2A
SCHEMBL6833469 0.71 CES2 (0.53) ELANEALDH1A1PKMMAPTKMT2A
SCHEMBL6833468 0.71 CES2 (0.53) ELANEALDH1A1PKMMAPTKMT2A
SCHEMBL6836012 0.71 MEN1 (0.53) ALDH1A1PKMMAPTHTTKMT2A

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 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

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 ELANE 458/4885ALDH1A1 1381/4885PKM 3770/4885

“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.