SCHEMBL442684

SCHEMBL442684

Nc1ccc(OC(F)(F)F)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.56
GPR3 P46089 5/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
SLC6A2 P23975 1/20 0.47
SCN4A P35499 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 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
SCHEMBL29546263 1.00 NR4A1 (0.56) NR4A1GPR3NPC1RAB9AGMNN
Hydrochloric Acid SCHEMBL9526864 0.98 NR4A1 (0.54) NR4A1GPR3NPC1RAB9AGMNN
SCHEMBL23651402 0.88 NR4A1 (0.65) NR4A1GPR3NPC1RAB9AGMNN
SCHEMBL24024734 0.84 MEN1 (0.54) NR4A1GAASCN5ASCN2AMAPK1
SCHEMBL1275899 0.83 GPR3 (0.46) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL30459994 0.83 GPR3 (0.46) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL519232 0.83 ALDH1A1 (0.46) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL4448251 0.82 MAPT (0.49) NR4A1LMNATP53CYP3A4GAA
SCHEMBL1351195 0.81 CYP3A4 (0.45) GPR3NPC1RAB9AGMNNUSP2
SCHEMBL11832556 0.81 GPR3 (0.44) NR4A1GPR3NPC1RAB9AGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103012171-B Preparation method of 4-chloro-5(trifluoromethoxy)-1,2-phenylenediamine BIOCOMPOUNDS PHARMACEUTICAL INC BPI 2015-07-22 CN claimed
JP-2264762-A None JP disclosed
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 EP disclosed
WO-2025074873-A1 POLYAMIDIMIDE, RESIN COMPOSITION, MOLDED ARTICLE, AND FILM 株式会社カネカ 2025-04-10 WO disclosed
WO-2025063230-A1 POLYIMIDE, RESIN COMPOSITION, MOLDED OBJECT, AND FILM 株式会社カネカ 2025-03-27 WO disclosed
CN-119235860-A N (N)2,N3Application of di-tert-butylquinoxaline-2, 3-diamine derivative in preparation of antitumor pharmaceutical composition 广西科技大学 2025-01-03 CN disclosed
US-20240409533-A1 HMOX1 INDUCERS Astellas Engineered Small Molecules US, Incorporated 2024-12-12 US disclosed
US-12071433-B2 HMOX1 inducers Astellas Engineered Small Molecules US, Incorporated (US) 2024-08-27 US disclosed
US-20240132479-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2024-04-25 US disclosed
WO-2024058617-A1 ANTIVIRAL USE OF HETEROARYL DERIVATIVE COMPOUND 일동제약(주) 2024-03-21 WO disclosed
US-6127547-A FOR CROP PROTECTION; SUCH AS 2-BROMO-6,6-DIFLUORO(1,3)DIOXOLO(4,5-F)BENZIMIDAZOLE BAYER AKTIENGESELLSCHAFT (DE) 2000-10-03 US disclosed
US-6020354-A FUNGICIDES, BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-01 US disclosed
EP-0974576-A2 Method of producing benzamide derivatives Mitsui Chemicals, Inc. (JP) 2000-01-26 EP disclosed
EP-0844998-A1 HALOBENZIMIDAZOLES AND THEIR USE AS MICROBICIDES BAYER AG (DE) 1998-06-03 EP disclosed
WO-1997006171-A1 HALOBENZIMIDAZOLES AND THEIR USE AS MICROBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-20 WO disclosed
EP-0251014-B1 2-TRIFLUOROMETHYL BENZIMIDAZOLES BAYER AG (DE) 1992-05-20 EP disclosed
US-5049574-A Psychotic diseases RHONE-POULENC SANTE (FR) 1991-09-17 US disclosed
JP-H02264762-A 5-TRIFLUOROMETHOXY-2-MBENZIMIDAZOLAMINE, PREPARATION THEREOF AND USE THEREOF RHONE POULENC SANTE 1990-10-29 JP disclosed
US-4767444-A Herbicidal and microbiocidal 2-trifluoromethyl-benzimidazoles BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
EP-0251014-A2 2-Trifluoromethyl benzimidazoles BAYER AG (DE) 1988-01-07 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 (3 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-20240409533-A1 HMOX1 INDUCERS HMOX1, HMOX2, HMBS NR4A1 1284/4885GPR3 4520/4885NPC1 3451/4885
US-12071433-B2 HMOX1 inducers HMOX1, HMOX2, HMBS NR4A1 1157/4885GPR3 4539/4885NPC1 3292/4885
US-20240132479-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF CUTA, DCXR, PLOD3 NR4A1 4576/4885GPR3 4545/4885NPC1 4876/4885

“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.