SCHEMBL6063364

SCHEMBL6063364

CSCc1cccc(C(F)(F)F)c1N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
MAOB P27338 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
P2RX7 Q99572 2/20 0.34
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
POLQ O75417 1/20 0.33
LTA4H P09960 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL10347841 0.85 IDO1 (0.43) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL515164 0.81 IDO1 (0.50) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL8538736 0.80 AKR1B1 (0.40) IDO1P2RX7
SCHEMBL9861905 0.79 GABRA1 (0.45) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL10949699 0.77 MAOB (0.46) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL7645348 0.76 IDO1 (0.42) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL10347842 0.76 IDO1 (0.44) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL11620702 0.76 IDO1 (0.44) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL456789 0.76 IDO1 (0.44) IDO1MAOBALDH1A1POLBTDP1
SCHEMBL10534539 0.75 NOS3 (0.36) IDO1ALDH1A1POLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0185128-B1 CATALYTIC HYDRODESULFURIZATION OF ORTHO-AMINOBENZYL SULFIDES Monsanto Company (US) 1990-05-16 EP claimed
US-4806687-A Catalytic hydrodesulfurization of ortho-aminobenzylsulfides MONSANTO COMPANY (US) 1989-02-21 US claimed
EP-0136995-B1 PREPARATION OF 2-(METHYLTHIOMETHYL)-6-(TRIFLUOROMETHYL) ANILINE FROM ORTHO-AMINOBENZOTRIFLUORIDE Monsanto Company (US) 1987-10-28 EP claimed
EP-0185128-A1 Catalytic hydrodesulfurization of ortho-aminobenzyl sulfides Monsanto Company (US) 1986-06-25 EP claimed
US-4578514-A Synthesis of sulfilimines MONSANTO COMPANY (US) 1986-03-25 US claimed
US-4493755-A Electrolytic preparation of orthoalkyl-2-halo-N-acylanilides MONSANTO COMPANY (US) 1985-01-15 US claimed
US-4404069-A Electrolytic desulfurization of anilino sulfur compounds MONSANTO COMPANY (US) 1983-09-13 US claimed
US-7145035-B2 Methods of ortho alkylation E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-12-05 US disclosed
US-20040082793-A1 Methods of ortho alkylation E. I. DU PONT DE NEMOURS AND COMPANY 2004-04-29 US disclosed
EP-1368310-A2 IMPROVED METHODS OF ORTHO ALKYLATION E. I. du Pont de Nemours and Company (US) 2003-12-10 EP disclosed
WO-2002072540-A2 IMPROVED METHODS OF ORTHO ALKYLATION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2002-09-19 WO disclosed
EP-0511826-B1 Phosphosulfonate herbicides ROHM & HAAS (US) 1997-07-16 EP disclosed
US-5500405-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1996-03-19 US disclosed
US-4578514-A Synthesis of sulfilimines MONSANTO COMPANY (US) 1986-03-25 US disclosed
EP-0143768-A1 Preparation of ortho-(alkylthiomethyl) anilines by catalytic sulfilimine rearrangement Monsanto Company (US) 1985-06-05 EP disclosed
EP-0136995-A2 Preparation of 2-(methylthiomethyl)-6-(trifluoromethyl) aniline from ortho-aminobenzotrifluoride Monsanto Company (US) 1985-04-10 EP disclosed
US-4496765-A Preparation of 2-(methylthiomethyl)-6-(trifluoromethyl)aniline from ortho-aminobenzotrifluoride MONSANTO COMPANY (US) 1985-01-29 US disclosed
US-4493755-A Electrolytic preparation of orthoalkyl-2-halo-N-acylanilides MONSANTO COMPANY (US) 1985-01-15 US disclosed
US-4440964-A INTERMEDIATES FOR PREPARING SUBSTITUTED ANILINES MONSANTO COMPANY (US) 1984-04-03 US disclosed
US-4404069-A Electrolytic desulfurization of anilino sulfur compounds MONSANTO COMPANY (US) 1983-09-13 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 (1 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-20040082793-A1 Methods of ortho alkylation CBR1, AOC2, CBR3 IDO1 515/4885MAOB 497/4885ALDH1A1 270/4885

“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.