SCHEMBL694247

SCHEMBL694247

O=C(C[N+](=O)[O-])Nc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.53
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 2/20 0.47
PEPD P12955 1/20 0.47
CA12 O43570 1/20 0.47
BRD4 O60885 1/20 0.47
NR1I2 O75469 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
MB P02144 1/20 0.47
CA3 P07451 1/20 0.47
CYP3A4 P08684 1/20 0.47
RARG P13631 1/20 0.47
TSHR P16473 1/20 0.47
ALOX5AP P20292 1/20 0.47
CA4 P22748 1/20 0.47
CA7 P43166 1/20 0.47
NR1I3 Q14994 1/20 0.47

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
SCHEMBL2933871 0.84 KMT2A (0.63) MEN1KMT2AALDH1A1MAPTMAOA
SCHEMBL572726 0.84 GAA (0.56) KMT2AALDH1A1MAPTCA12CA1
SCHEMBL1532371 0.84 POLB (0.63) MEN1KMT2AALDH1A1MAPTCA12
SCHEMBL11763476 0.84 KMT2A (0.59) MEN1KMT2AALDH1A1MAPTCA12
SCHEMBL4835086 0.84 MEN1 (0.65) MEN1KMT2AALDH1A1MAPTGAA
SCHEMBL733776 0.83 EPHX2 (0.53) ALDH1A1MAPTCYP3A4TSHRGAA
SCHEMBL28763494 0.82 CYP1A1 (0.59) CYP1A1MEN1KMT2AALDH1A1MAPT
SCHEMBL7428098 0.81 ALDH1A1 (0.60) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL10965290 0.81 MAPT (0.58) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL5306821 0.80 SMN1; SMN2 (0.58) MEN1KMT2AALDH1A1MAPTCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130053598-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2013-02-28 US disclosed
CN-102459156-A Process for preparing cross-coupled products of benzenoid diazonium salts ZYLUM BETEILIGUNGSGES PAT II 2012-05-16 CN disclosed
EP-2421822-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG (DE) 2012-02-29 EP disclosed
WO-2010122105-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2010-10-28 WO disclosed
US-3993768-A FUNGICIDES SYNTEX (U.S.A.) INC. (US) 1976-11-23 US 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-20130053598-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT CBR3, CBR1, NOX3 CYP1A1 1883/4885MEN1 1589/4885KMT2A 2189/4885

“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.