SCHEMBL700418

SCHEMBL700418

CCCCOc1ccc([N+](=O)[O-])cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.62
HTT P42858 2/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP19A1 P11511 6/20 0.51
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
POLB P06746 2/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL8977128 0.95 TDP1 (0.60) TDP1HTTALDH1A1MAPTKMT2A
SCHEMBL11419463 0.93 TDP1 (0.55) TDP1HTTALDH1A1MAPTKMT2A
SCHEMBL11426633 0.93 TDP1 (0.55) TDP1HTTALDH1A1MAPTKMT2A
SCHEMBL29469600 0.92 TDP1 (0.64) TDP1HTTALDH1A1MAPTKMT2A
SCHEMBL397794 0.92 TDP1 (0.64) TDP1HTTALDH1A1MAPTKMT2A
SCHEMBL11224639 0.91 TDP1 (0.65) TDP1HTTALDH1A1MAPTKMT2A
SCHEMBL11232774 0.91 TDP1 (0.65) TDP1HTTALDH1A1MAPTKMT2A
SCHEMBL4378454 0.89 HTT (0.61) TDP1HTTALDH1A1MAPTKMT2A
SCHEMBL11233176 0.89 TDP1 (0.67) TDP1HTTALDH1A1MAPTKMT2A
SCHEMBL11421627 0.87 TDP1 (0.65) TDP1HTTALDH1A1MAPTKMT2A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473484-B Compounds useful as TRPM8 modulators 弗门尼舍公司 2021-06-29 CN disclosed
EP-3356356-B1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED (US) 2021-05-26 EP disclosed
US-10392371-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2019-08-27 US disclosed
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX, INC. 2019-06-13 US disclosed
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 SENOMYX INC (US) 2018-09-27 US disclosed
CN-108473484-A Compounds useful as TRPM8 modulators 赛诺米克斯公司 2018-08-31 CN disclosed
EP-3356356-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2018-08-08 EP disclosed
US-9732071-B2 Compounds useful as modulators of TRPM8 SENOMYX, INC. (US) 2017-08-15 US disclosed
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent SENOMYX INC (US) 2017-05-25 US disclosed
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 FIRMENICH INCORPORATED 2017-04-06 US disclosed
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies ELCELYX THERAPEUTICS, INC. (US) 2013-10-24 US disclosed
US-8124360-B2 Use of a T1R2 nucleic acid sequence to identify tastants GIVAUDAN S.A. (CH) 2012-02-28 US disclosed
US-20110177545-A1 G-PROTEINS GIVAUDAN SA (CH) 2011-07-21 US disclosed
US-20110097741-A1 PARTIAL T1R2 NUCLEIC ACID SEQUENCE, RECEPTOR PROTEIN AND ITS USE IN SCREENING ASSAYS GIVAUDAN SA (CH) 2011-04-28 US disclosed
US-7919236-B2 G-proteins GIVAUDAN SA (CH) 2011-04-05 US disclosed
US-20090176266-A1 FUNCTIONAL METHOD TO IDENTIFY TASTANTS GIVAUDAN S.A. (CH) 2009-07-09 US disclosed
EP-1581555-B1 CHIMERIC ALPHA Q-GUSTDUCIN G-PROTEINS GIVAUDAN SA (CH) 2008-04-30 EP disclosed
US-20060275765-A1 G-proteins GIVAUDAN SA (CH) 2006-12-07 US disclosed
CN-1726224-A Chimeric alpha Q-gustducin G-proteins GIVAUDAN SA (CH) 2006-01-25 CN disclosed
EP-0292911-A2 Process for the preparation of pure nitro-aminobenzene-compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-30 EP 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 (7 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-20110097741-A1 PARTIAL T1R2 NUCLEIC ACID SEQUENCE, RECEPTOR PROTEIN AND ITS USE IN SCREENING ASSAYS TAS2R30, TAS1R2, TAS2R31 TDP1 2274/4885HTT 3578/4885ALDH1A1 4670/4885
US-10392371-B2 Compounds useful as modulators of TRPM8 TRPM8, TRPM4, TRPM6 TDP1 3125/4885HTT 3860/4885ALDH1A1 3726/4885
US-20170143022-A1 Compositions Incorporating an Umami Flavor Agent TAS2R8, TAS2R45, TAS2R40 TDP1 3893/4885HTT 1966/4885ALDH1A1 263/4885
US-20190177308-A9 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 TDP1 2442/4885HTT 4111/4885ALDH1A1 3880/4885
US-20180273517-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 TDP1 2442/4885HTT 4111/4885ALDH1A1 3880/4885
US-20130281387-A1 Chemosensory Receptor Ligand-Based Therapies GPR119, TAS1R2, TAS2R1 TDP1 3786/4885HTT 1402/4885ALDH1A1 796/4885
US-20170096418-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 TRPM8, TRPM6, TRPM4 TDP1 2442/4885HTT 4111/4885ALDH1A1 3880/4885

“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.