SCHEMBL332231

SCHEMBL332231

O=C=Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.45
AR P10275 11/20 0.44
CYP3A4 P08684 3/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PGR P06401 2/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
CES2 O00748 1/20 0.44
ABCB11 O95342 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
ALOX15 P16050 1/20 0.44
TBXA2R P21731 1/20 0.44

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
SCHEMBL10763991 0.88 KIF11 (0.43) SIRT6ARCYP3A4LMNACYP1A2
SCHEMBL3925839 0.86 SIRT6 (0.44) SIRT6ARCYP3A4LMNACYP1A2
SCHEMBL6895856 0.84 ALDH1A1 (0.43) SIRT6ARCYP3A4LMNACYP1A2
SCHEMBL14048317 0.82 SIRT6 (0.48) SIRT6ARCYP3A4LMNACYP1A2
SCHEMBL11220630 0.80 TSHR (0.47) CYP3A4LMNACYP1A2TSHRMAPK1
SCHEMBL7569166 0.79 AR (0.45) SIRT6ARCYP3A4LMNACYP1A2
SCHEMBL12972551 0.79 AR (0.45) SIRT6ARCYP3A4LMNACYP1A2
SCHEMBL1555041 0.78 MAPK1 (0.47) CYP3A4CYP1A2TSHRMAPK1CES2
SCHEMBL9859165 0.78 TDP1 (0.36) ARCYP3A4TSHRSMN1; SMN2PGR
SCHEMBL5286249 0.77 SIRT6 (0.50) SIRT6ARCYP3A4LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1070473-A None JP disclosed
US-20230116771-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2023-04-13 US disclosed
EP-3408271-B1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMA (US) 2023-01-11 EP disclosed
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2022-09-20 US disclosed
CN-108779127-B Maytansinoid derivatives, conjugates thereof, and methods of use 里珍纳龙药品有限公司 2022-07-05 CN disclosed
CN-114478801-A Maytansinoid derivatives, conjugates thereof, and methods of use 里珍纳龙药品有限公司 2022-05-13 CN disclosed
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2020-04-23 US disclosed
US-10463749-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2019-11-05 US disclosed
EP-3408271-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE Regeneron Pharmaceuticals, Inc. (US) 2018-12-05 EP disclosed
US-20180289834-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2018-10-11 US disclosed
WO-2007095423-A1 BICYCLIC IMIDAZOLE OR THIADIAZOLE HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 WO disclosed
US-20070197521-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-23 US disclosed
US-4873256-A Antiandrogenic 4-hydroxymethyl-2-imidazolidine-diones Uclaf, Roussel (FR) 1989-10-10 US disclosed
EP-0040932-B1 AMIDE DERIVATIVES, PROCESS FOR THEIR MANUFACTURE AND PHARMACEUTICAL OR VETERINARY COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-07-03 EP disclosed
US-4386080-A 3,4-DISUBSTITUTED-N-ACYLANILINES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-31 US disclosed
EP-0003619-B1 HETEROCYCLIC-SUBSTITUTED ANILIDE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, HERBICIDAL COMPOSITIONS CONTAINING THEM AND A METHOD OF CONTROLLING UNDESIRED PLANT GROWTH USING THEM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-05-05 EP disclosed
EP-0040932-A1 Amide derivatives, process for their manufacture and pharmaceutical or veterinary compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-12-02 EP disclosed
US-4174958-A Anilide derivative herbicides SHELL OIL COMPANY (US) 1979-11-20 US disclosed
EP-0003619-A2 Heterocyclic-substituted anilide derivatives, a process for their preparation, herbicidal compositions containing them and a method of controlling undesired plant growth using them SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-08-22 EP disclosed
US-4097578-A ANTIANDROGENS ROUSSEL UCLAF (FR) 1978-06-27 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 (6 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-10463749-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 SIRT6 3131/4885AR 710/4885CYP3A4 1482/4885
US-20070197521-A1 NOVEL BICYCLIC HETEROCYCLES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, NR5A1, FSHR SIRT6 1569/4885AR 1/4885CYP3A4 426/4885
US-20230116771-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 SIRT6 3131/4885AR 710/4885CYP3A4 1482/4885
US-20180289834-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 SIRT6 3131/4885AR 710/4885CYP3A4 1482/4885
US-20200121806-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 SIRT6 3131/4885AR 710/4885CYP3A4 1482/4885
US-11446389-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 SIRT6 3131/4885AR 710/4885CYP3A4 1482/4885

“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.