SCHEMBL4037805

SCHEMBL4037805

COC(=O)c1cc([N+](=O)[O-])ccn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
RXFP1 Q9HBX9 1/20 0.46
POLB P06746 2/20 0.44
PYGL P06737 2/20 0.44
PYGM P11217 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
CYP2C19 P33261 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
SLC6A4 P31645 1/20 0.43
F2 P00734 1/20 0.42
PLAU P00749 1/20 0.42
KLKB1 P03952 1/20 0.42
ELANE P08246 1/20 0.42
CTRB1 P17538 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
SCHEMBL11021202 0.86 SLC6A4 (0.55) ALDH1A1MEN1KMT2AMAPTRXFP1
SCHEMBL17673963 0.84 RXFP1 (0.41) ALDH1A1MEN1KMT2AMAPTRXFP1
SCHEMBL17674014 0.83 RAB9A (0.54) ALDH1A1MEN1KMT2AMAPTRXFP1
SCHEMBL28671132 0.82 PYGL (0.41) ALDH1A1MEN1KMT2AMAPTRXFP1
SCHEMBL2481383 0.80 ALDH1A1 (0.53) ALDH1A1MAPTPYGLPYGMKDM4E
SCHEMBL17674263 0.79 ALOX5 (0.58) ALDH1A1MEN1KMT2AMAPTPYGL
SCHEMBL3551449 0.79 HSPB1 (0.47) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL3092547 0.78 TSHR (0.50) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL9440315 0.78 ALDH1A1 (0.52) ALDH1A1MAPTPYGLPYGMKDM4E
Zinc Ion SCHEMBL9440309 0.78 CA1 (0.44) ALDH1A1MEN1KMT2AMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364300-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2019-07-30 US claimed
US-20170247478-A1 Method For Producing Polydienes And Polydiene Copolymers With Reduced Cold Flow BRIDGESTONE CORPORATION (JP) 2017-08-31 US claimed
EP-3204429-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW Bridgestone Corporation (JP) 2017-08-16 EP claimed
WO-2016057388-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2016-04-14 WO claimed
CN-107567464-B Process for producing polydienes and polydiene copolymers having reduced cold flow properties 株式会社普利司通 2020-04-14 CN disclosed
US-10364300-B2 Method for producing polydienes and polydiene copolymers with reduced cold flow BRIDGESTONE CORPORATION (JP) 2019-07-30 US disclosed
EP-3204429-B1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORP (JP) 2018-09-05 EP disclosed
US-20170247478-A1 Method For Producing Polydienes And Polydiene Copolymers With Reduced Cold Flow BRIDGESTONE CORPORATION (JP) 2017-08-31 US disclosed
EP-3204429-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW Bridgestone Corporation (JP) 2017-08-16 EP disclosed
WO-2016057388-A1 METHOD FOR PRODUCING POLYDIENES AND POLYDIENE COPOLYMERS WITH REDUCED COLD FLOW BRIDGESTONE CORPORATION (JP) 2016-04-14 WO disclosed
EP-1268443-B1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2009-07-29 EP disclosed
US-6972297-B2 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2005-12-06 US disclosed
CN-1210267-C 2-hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM PLC (GB) 2005-07-13 CN disclosed
CN-1427827-A 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM PLC (GB) 2003-07-02 CN disclosed
US-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-19 US disclosed
EP-1268443-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SmithKline Beecham p.l.c. (GB) 2003-01-02 EP disclosed
WO-2001074788-A1 2-HYDROXY-MUTILIN CARBAMATE DERIVATIVES FOR ANTIBACTERIAL USE SMITHKLINE BEECHAM PLC (GB) 2001-10-11 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-20030114674-A1 2-Hydroxy-mutilin carbamate derivatives for antibacterial use MSH6, MSH2, PMS2 ALDH1A1 1967/4885MEN1 47/4885KMT2A 723/4885

“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.