SCHEMBL42728

SCHEMBL42728

CNCc1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.57
HTR2A P28223 2/20 0.56
HTR2B P41595 2/20 0.56
HTR2C P28335 1/20 0.56
CARM1 Q86X55 2/20 0.56
PRMT6 Q96LA8 2/20 0.56
TAAR1 Q96RJ0 1/20 0.55
IDO1 P14902 2/20 0.53
SIGMAR1 Q99720 1/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 1/20 0.53
ADRA2C P18825 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
DRD3 P35462 1/20 0.53
OPRK1 P41145 1/20 0.53
MLYCD O95822 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SCN8A Q9UQD0 1/20 0.51
EGFR P00533 1/20 0.51

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
SCHEMBL29988585 1.00 MRGPRX4 (0.57) MRGPRX4HTR2AHTR2BHTR2CCARM1
Acetic Acid SCHEMBL30416370 0.90 L3MBTL1 (0.58) MRGPRX4LMNAMAPTMLYCDL3MBTL1
SCHEMBL13948894 0.85 MRGPRX4 (0.52) MRGPRX4HTR2ACARM1PRMT6IDO1
SCHEMBL541044 0.84 TAAR1 (0.58) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL4239980 0.84 DPP7 (0.59) HTR2AHTR2BHTR2CTAAR1IDO1
SCHEMBL8260091 0.82 PRMT6 (0.49) MRGPRX4CARM1PRMT6MAPTCYP3A4
SCHEMBL3920885 0.81 TAAR1 (0.61) HTR2AHTR2BHTR2CCARM1PRMT6
SCHEMBL4240337 0.81 IDO1 (0.54) HTR2AHTR2BHTR2CCARM1PRMT6
SCHEMBL2855040 0.81 HTR2A (0.58) HTR2AHTR2BHTR2CCARM1PRMT6
SCHEMBL3237564 0.81 TAAR1 (0.64) HTR2AHTR2BHTR2CTAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP claimed
US-9597314-B2 Beta-lactamylalkanoic acids for treating premenstrual disorders AZEVAN PHARMACEUTICALS, INC. (US) 2017-03-21 US claimed
CN-105307651-A Thiazole compound and application thereof ABBVIE INC 2016-02-03 CN claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
WO-2024095003-A1 NICOTINAMIDE DERIVATIVES FOR USE IN TREATING DISORDERS ASSOCIATED WITH KCNK13 ACTIVITY Cerevance, Inc. (US) 2024-05-10 WO disclosed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
US-20230339878-A1 SLC26A3 INHIBITORS AND USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-26 US disclosed
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
CN-116327950-A Use of a composition for the treatment of neuropsychiatric symptoms of neurodegenerative diseases 阿泽范药品公司 2023-06-27 CN disclosed
CN-116139282-A Compositions and methods for treating neurodegenerative diseases 阿泽范药品公司 2023-05-23 CN disclosed
EP-0619297-B1 Fungicides for the control of take-all desease of plants MONSANTO CO (US) 1997-06-18 EP disclosed
US-5498630-A SUBSTITUTED BENZOTHIOPHENECARBOXAMIDES MONSANTO COMPANY (US) 1996-03-12 US disclosed
EP-0619297-A1 Fungicides for the control of take-all desease of plants MONSANTO COMPANY (US) 1994-10-12 EP disclosed
CN-1085221-A Bactericide for preventing and treating plant take-all disease MONSANTO CO (US) 1994-04-13 CN disclosed
WO-1993007751-A1 FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO COMPANY (US) 1993-04-29 WO disclosed
EP-0212479-A1 Use of lactam amides as efficiency improvers in animals BAYER AG (DE) 1987-03-04 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-20230339878-A1 SLC26A3 INHIBITORS AND USE THEREOF SLC26A3, SLC10A2, SLC10A6 MRGPRX4 625/4885HTR2A 1540/4885HTR2B 809/4885
US-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R MRGPRX4 49/4885HTR2A 760/4885HTR2B 656/4885
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT MRGPRX4 3149/4885HTR2A 1652/4885HTR2B 1921/4885

“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.