SCHEMBL1466162

SCHEMBL1466162

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.65
▸ KMT2A Q03164 3/20 0.65
▸ ALDH1A1 P00352 4/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ RECQL P46063 1/20 0.61
▸ MAPT P10636 5/20 0.60
▸ LMNA P02545 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ HPGD P15428 2/20 0.52
▸ ALOX12 P18054 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ACHE P22303 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ GAA P10253 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
Ammonia Solution, Strong SCHEMBL28461881 0.98 MEN1 (0.63) MEN1KMT2AALDH1A1HSD17B10RECQL
SCHEMBL12347503 0.94 MEN1 (0.59) MEN1KMT2AALDH1A1HSD17B10RECQL
SCHEMBL9233195 0.89 KMT2A (0.60) MEN1KMT2AALDH1A1HSD17B10RECQL
SCHEMBL9232108 0.89 MAPT (0.66) MEN1KMT2AALDH1A1HSD17B10RECQL
SCHEMBL9232889 0.88 MEN1 (0.54) MEN1KMT2AALDH1A1HSD17B10RECQL
SCHEMBL3662903 0.84 ALDH1A1 (0.57) MEN1KMT2AALDH1A1HSD17B10RECQL
SCHEMBL6671270 0.82 MAPT (0.54) MEN1KMT2AALDH1A1HSD17B10RECQL
SCHEMBL25278879 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HSD17B10RECQL
SCHEMBL4696383 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1HSD17B10RECQL
SCHEMBL3859485 0.80 ALDH1A1 (0.52) MEN1KMT2AALDH1A1HSD17B10RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 — — US disclosed
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 — — CN disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 — — US disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 — — US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 — — US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 — — US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 — — US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 — — US disclosed
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-03-30 — — US disclosed
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2022-12-29 — — US disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 — — WO disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 — — WO disclosed
US-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-04-27 — — US disclosed
EP-1641752-A1 3- SULFONYLAMINO- PYRROLIDINE- 2- ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2006-04-05 — — EP disclosed
WO-2004110997-A1 3- SULFONYLAMINO- PYRROLIDINE- 2- ONE DERIVATIVES AS INHIBITORS OF FACTOR XA GLAXO GROUP LIMITED (GB) 2004-12-23 — — WO disclosed
US-5739280-A TRIPEPTIDE FOR EVALUATING A TEST COMPOUND'S ABILITY TO INHIBIT INTERLEUKIN 1B CONVERTING ENZYME INDUCED HYDROLYSIS PFIZER INC. (US) 1998-04-14 — — US disclosed
US-5622830-A Method of identifying interleukin 1β converting enzyme inhibitors DAUMY GASTON O (US) 1997-04-22 — — US disclosed
WO-1993010119-A1 HETEROCYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-27 — — WO disclosed
EP-0542497-A1 Heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1993-05-19 — — EP disclosed
EP-0320879-A1 Separating toluenediamine from N-tertiarybutyl toluenediamine AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-06-21 — — 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-20060089398-A1 Isoxazole carboxamide derivatives as ghrelin receptor modulators GPR119, GIPR, GLP1R MEN1 3388/4885KMT2A 1793/4885ALDH1A1 3320/4885
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4687/4885KMT2A 4313/4885ALDH1A1 1961/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4687/4885KMT2A 4313/4885ALDH1A1 1961/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MEN1 4687/4885KMT2A 4313/4885ALDH1A1 1961/4885
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4687/4885KMT2A 4313/4885ALDH1A1 1961/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MEN1 4687/4885KMT2A 4313/4885ALDH1A1 1961/4885
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES AIFM2, FECH, GPX4 MEN1 2123/4885KMT2A 2622/4885ALDH1A1 395/4885

“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.

Send feedback