SCHEMBL3690189

SCHEMBL3690189

COc1ccc2c(c(C=O)cn2C)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.53
MTNR1A P48039 2/20 0.53
MTNR1B P49286 2/20 0.53
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ERN1 O75460 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IMPDH2 P12268 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL5405855 0.78 ALDH1A1 (0.46) NQO2MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL1093104 0.75 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTALOX15ERN1
SCHEMBL8818298 0.74 ALDH1A1 (0.58) NQO2MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL5071942 0.74 MEN1 (0.56) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL19859493 0.73 ALDH1A1 (0.48) NQO2MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL18498508 0.73 MTNR1A (0.54) NQO2MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL14981605 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTERN1KMT2A
SCHEMBL18498509 0.72 NQO2 (0.71) NQO2MTNR1AMTNR1BALDH1A1KDM4E
SCHEMBL27773285 0.71 MEN1 (0.53) ALDH1A1KDM4EMAPTCYP3A4ALOX15
SCHEMBL30846245 0.70 MTNR1A (0.52) NQO2MTNR1AMTNR1BALDH1A1KDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245132-B1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC NO 41424 (GB) 2017-10-18 EP claimed
EP-2245132-A1 ENCAPSULATED BENEFIT AGENT Unilever Plc, A Company Registered In England And Wales under company no. 41424 of Unilever House (GB) 2010-11-03 EP claimed
WO-2009103576-A1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC (GB) 2009-08-27 WO claimed
EP-2245132-B1 ENCAPSULATED BENEFIT AGENT UNILEVER PLC NO 41424 (GB) 2017-10-18 EP disclosed
US-7304046-B2 Phosphoramide compounds PURDUE RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-7304046-B2 Phosphoramide compounds PURDUE RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-7304046-B2 Phosphoramide compounds PURDUE RESEARCH FOUNDATION (US) 2007-12-04 US disclosed
US-6831075-B2 Administering to a host for inhibiting kinase activity a 5-heterocylcic subustituted pyrazolone derivative CEPHALON, INC. 2004-12-14 US disclosed
US-20040176332-A1 Phosphoramide compounds PURDUE RESEARCH FOUNDATION 2004-09-09 US disclosed
US-6656926-B2 For therapy and prophylaxis of cancer PURDUE RESEARCH FOUNDATION 2003-12-02 US disclosed
US-20030162775-A1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2003-08-28 US disclosed
US-20030008850-A1 For therapy and prophylaxis of cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 US disclosed
US-6455525-B1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2002-09-24 US disclosed
WO-2001004130-A1 PHOSPHORAMIDE COMPOUNDS PURDUE RESEARCH FOUNDATION (US) 2001-01-18 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 (3 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-20030162775-A1 Heterocyclic substituted pyrazolones CYP3A4, CYP3A5, PDXK NQO2 280/4885MTNR1A 4829/4885MTNR1B 4697/4885
US-20040176332-A1 Phosphoramide compounds RB1, RRM2B, RRM1 NQO2 560/4885MTNR1A 736/4885MTNR1B 873/4885
US-20030008850-A1 For therapy and prophylaxis of cancer BRCA1, RRM2B, FOLR1 NQO2 277/4885MTNR1A 48/4885MTNR1B 68/4885

“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.