SCHEMBL39753

SCHEMBL39753

NCc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.66
PYCR1 P32322 1/20 0.50
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
KDR P35968 1/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
OPRL1 P41146 2/20 0.43
OPRM1 P35372 1/20 0.43
CSNK2A1 P68400 2/20 0.42
LOX P28300 1/20 0.42
NPFFR2 Q9Y5X5 3/20 0.41
NPFFR1 Q9GZQ6 2/20 0.41
NOTUM Q6P988 1/20 0.41
PNMT P11086 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL18266282 0.85 IDO1 (0.49) IDO1PYCR1LOXL2CSNK2A1LOX
SCHEMBL717599 0.84 DAO (0.48) IDO1LOXL2CSNK2A1LOXNOTUM
SCHEMBL30152373 0.84 DAO (0.48) IDO1LOXL2CSNK2A1LOXNOTUM
SCHEMBL10656615 0.83 IDO1 (0.65) IDO1PYCR1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL3236687 0.83 IDO1 (0.63) IDO1PYCR1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL30152380 0.82 IDO1 (0.49) IDO1LOXL2CSNK2A1LOXPNMT
SCHEMBL932921 0.82 IDO1 (0.62) IDO1PYCR1HTR3EHTR3BHTR3A
SCHEMBL875395 0.81 IDO1 (0.54) IDO1GPR84LOXL2LOX
SCHEMBL8690013 0.81 LOXL2 (0.47) IDO1PYCR1LOXL2LOX
SCHEMBL24969799 0.80 IDO1 (0.61) IDO1PYCR1HTR3EHTR3BHTR3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105505128-B Near-infrared light response self-repairing coating and preparation method thereof 南京工业大学 2018-05-08 CN claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha LUM ROBERT T (US) 2005-04-14 US claimed
US-6331649-B1 REDUCING AN OXIME BY CATALYTIC HYDROGENTATION IN SOLVENT CONTAINING AN ACID CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-18 US claimed
EP-4719385-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS University of Vermont and State Agricultural College (US) 2026-04-08 EP disclosed
WO-2025224085-A1 COMPOUNDS CAPABLE OF ACTING ON S1R AS WELL AS ON SEH AND USES THEREOF UNIVERSITAT DE BARCELONA (ES) 2025-10-30 WO disclosed
EP-3487836-B1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF UNIV COLUMBIA (US) 2025-10-22 EP disclosed
US-12239618-B2 Histone acetyltransferase activators and compositions and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2025-03-04 US disclosed
WO-2024249380-A2 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINES AS ANTI-INFECTIOUS AGENTS UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2024-12-05 WO disclosed
CN-115093389-B 6-Amide chroman-3-carboxamide derivative, preparation method and application thereof 广州医科大学 2024-10-18 CN disclosed
EP-3626718-B1 FIVE-MEMBERED-FUSED-SIX-MEMBERED AZA-AROMATIC RING COMPOUND, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF UNIV XIAMEN (CN) 2024-05-15 EP disclosed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
EP-1194144-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-10 EP disclosed
WO-2002013824-A1 CYCLOPENTYL MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2002-02-21 WO disclosed
US-20020013500-A1 Process for producing trifluoromethylbenzylamines CENTRAL GLASS COMPANY, LIMITED (JP) 2002-01-31 US disclosed
US-20020010174-A1 Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 US disclosed
US-6331649-B1 REDUCING AN OXIME BY CATALYTIC HYDROGENTATION IN SOLVENT CONTAINING AN ACID CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-18 US disclosed
WO-2001090083-A1 1,4-DIAZEPAN-2,5-DIONE DERIVATIVES AND THEIR USE AS NK-1 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO disclosed
WO-2000071120-A1 ANTIBACTERIAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-11-30 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 (5 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT IDO1 3872/4885PYCR1 2208/4885HTR3E 2085/4885
US-20050080261-A1 Purine inhibitors of cyclin dependent kinase 2 and IkappaB-alpha IKBKB, NFKB1, CDK4 IDO1 2053/4885PYCR1 3347/4885HTR3E 1343/4885
US-12239618-B2 Histone acetyltransferase activators and compositions and uses thereof HDAC6, HDAC9, HDAC5 IDO1 2851/4885PYCR1 4015/4885HTR3E 1336/4885
US-20020013500-A1 Process for producing trifluoromethylbenzylamines MAOB, CYP2F1, AGL IDO1 49/4885PYCR1 2427/4885HTR3E 3091/4885
US-20020010174-A1 Diazapane derivatives useful as antagonists of neurokinin 1 receptor and methods for their formation BDKRB2, NPSR1, BDKRB1 IDO1 840/4885PYCR1 1869/4885HTR3E 333/4885

“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.