SCHEMBL7100781

SCHEMBL7100781

N#CCSCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CYP2C19 P33261 2/20 0.44
CTSB P07858 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
IDO1 P14902 4/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
HTT P42858 1/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
Propionitrile SCHEMBL27536393 0.80 MAOA (0.44) MAOAMAOBSMN1; SMN2CYP2C19CYP1A2
SCHEMBL10396645 0.80 CYP1A2 (0.52) MAOAMAOBSMN1; SMN2CYP2C19CYP1A2
Water SCHEMBL28337531 0.80 CYP2C19 (0.54) MAOAMAOBSMN1; SMN2CYP2C19CTSB
Water SCHEMBL27972561 0.80 CYP2C19 (0.54) MAOAMAOBSMN1; SMN2CYP2C19CTSB
SCHEMBL8845028 0.78 ALDH1A1 (0.50) MAOAMAOBSMN1; SMN2CYP2C19CYP1A2
SCHEMBL13888921 0.78 BCHE (0.42) IDO1ALDH1A1HTTHPGD
SCHEMBL18239237 0.77 CYP2C19 (0.44) MAOAMAOBSMN1; SMN2CYP2C19CYP1A2
SCHEMBL5385519 0.77 CYP2C19 (0.48) MAOAMAOBSMN1; SMN2CYP2C19CTSB
Cyanate SCHEMBL28254557 0.77 CYP2C19 (0.48) MAOAMAOBSMN1; SMN2CYP2C19CYP1A2
SCHEMBL206 0.77 CYP2C19 (0.56) MAOBSMN1; SMN2CYP2C19CTSBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-10710061-B2 Ion pair catalysis of tungstate and molybdate NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-14 US disclosed
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2019-04-11 US disclosed
WO-2017164813-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2017-09-28 WO disclosed
EP-1230230-B1 INDENO-DIHYDROTHIAZOLE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR USE AS ANORECTIC MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2003-09-17 EP disclosed
EP-0724435-B1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2002-08-14 EP disclosed
EP-1230230-A1 INDENO-, NAPHTHO-, AND BENZOCYCLOHEPTA-DIHYDROTHIAZOLE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR USE AS ANORECTIC MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2002-08-14 EP disclosed
US-6387935-B1 ANOREXIGENIC AGENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-05-14 US disclosed
WO-2001032638-A1 INDENO-, NAPHTHO-, AND BENZOCYCLOHEPTA-DIHYDROTHIAZOLE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR USE AS ANORECTIC MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-10 WO disclosed
US-5821267-A MODULATING THE INDUCIBLE ISOFORM OVER THE CONSTITUTIVE; HYPERTENSIVE, ANTIARTHRITIC AND DIABETIC AGENTS; THERAPY WITH CYTOKINES; TOXIC AND SEPTIC SHOCK G.D. SEARLE & CO. (US) 1998-10-13 US disclosed
EP-0707577-A1 HEME BINDING COMPOUNDS AND USE THEREOF MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1996-04-24 EP disclosed
US-5464858-A Heme binding compounds and use thereof THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1995-11-07 US disclosed
US-5424447-A Heme binding compounds and use thereof THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1995-06-13 US disclosed
WO-1995011014-A1 AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-04-27 WO disclosed
WO-1995001972-A1 HEME BINDING COMPOUNDS AND USE THEREOF THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) 1995-01-19 WO disclosed
EP-0186426-B1 TETRAZOLYL COMPOUNDS AND THEIR PHARMACEUTICAL USE Lilly Industries Limited (GB) 1990-09-12 EP disclosed
US-4898874-A Acetic acid derivatives of 3-aryl-2,1-benzisoxazole and esters and amides thereof A. H. ROBINS COMPANY, INC. (US) 1990-02-06 US disclosed
EP-0260924-A1 Antiinflammatory derivatives of 3-aryl-2,1-benzisoxazole A.H. ROBINS COMPANY, INCORPORATED (US) 1988-03-23 EP disclosed
EP-0186426-A2 Tetrazolyl compounds and their pharmaceutical use Lilly Industries Limited (GB) 1986-07-02 EP disclosed
US-3988375-A HERBICIDES MONSANTO COMPANY (US) 1976-10-26 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 (2 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-10710061-B2 Ion pair catalysis of tungstate and molybdate PRDX3, PRDX4, PRDX2 MAOA 1109/4885MAOB 476/4885SMN1; SMN2 4353/4885
US-20190105646-A1 ION PAIR CATALYSIS OF TUNGSTATE AND MOLYBDATE PRDX3, PRDX4, PRDX6 MAOA 827/4885MAOB 305/4885SMN1; SMN2 4370/4885

“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.