SCHEMBL2107951

SCHEMBL2107951

S=C=NCc1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 7/20 0.65
CYP3A4 P08684 3/20 0.61
TRPA1 O75762 2/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61
HTR3E A5X5Y0 1/20 0.52
HTR3B O95264 1/20 0.52
HTR3A P46098 1/20 0.52
HTR3D Q70Z44 1/20 0.52
HTR3C Q8WXA8 1/20 0.52
TAAR1 Q96RJ0 3/20 0.50
PNMT P11086 2/20 0.50
GRIN2B Q13224 3/20 0.46
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46

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
SCHEMBL483536 0.87 MIF (0.74) MIFCYP3A4TRPA1ALDH1A1HPGD
SCHEMBL6657463 0.85 HTR3E (0.49) MIFCYP3A4TRPA1ALDH1A1HPGD
SCHEMBL4701003 0.81 MIF (0.67) MIFTRPA1HTR3EHTR3BHTR3A
SCHEMBL3924560 0.80 HTR3E (0.52) MIFCYP3A4HTR3EHTR3BHTR3A
SCHEMBL30483624 0.80 HTR3E (0.52) MIFCYP3A4HTR3EHTR3BHTR3A
SCHEMBL28709411 0.79 MIF (0.52) MIFCYP3A4TRPA1ALDH1A1HPGD
SCHEMBL25333223 0.78 MIF (0.69) MIFCYP3A4TRPA1ALDH1A1HPGD
SCHEMBL10651510 0.78 MIF (0.62) MIFCYP3A4TRPA1ALDH1A1HPGD
SCHEMBL2341886 0.78 MIF (0.62) MIFCYP3A4TRPA1ALDH1A1HPGD
SCHEMBL1551628 0.78 MIF (1.00) MIFCYP3A4TRPA1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010065329-A2 NANOPARTICLES FOR CANCER TREATMENT THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 WO claimed
US-20060241178-A1 Compositions and methods for treating lung cancer IMMUNEGUARD LLC (US) 2006-10-26 US claimed
WO-2004060365-A1 COMPOSITIONS AND METHODS FOR TREATING LUNG CANCER AMERICAN HEALTH FOUNDATION (US) 2004-07-22 WO claimed
WO-2023210570-A1 PLANT STOMATAL OPENING REGULATOR 国立大学法人東海国立大学機構 2023-11-02 WO disclosed
WO-2020021544-A1 CANNABIDIOL AND METHYLTHIO-BUTYL-ISOTHIOCYANATE FOR TREATING INFLAMMATORY DISEASES BOL PHARMA LTD. (IL) 2020-01-30 WO disclosed
US-20130158111-A1 Compositions and Methods for Depleting Mutant p53 GEORGETOWN UNIVERSITY (US) 2013-06-20 US disclosed
US-20120208879-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING PSORIASIS GAVISH-GALILEE BIO APPLICATIONS LTD. (IL) 2012-08-16 US disclosed
US-8158161-B2 Methods and pharmaceutical compositions useful for treating psoriasis S.U.L.V.E. LTD. (IL) 2012-04-17 US disclosed
EP-1465882-B1 HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X CEPTOR THERAPEUTICS INC (US) 2011-08-24 EP disclosed
WO-2010065329-A2 NANOPARTICLES FOR CANCER TREATMENT THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-06-10 WO disclosed
US-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET (FR) 2009-10-29 US disclosed
WO-2001051527-A1 PROCATALYSTS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051526-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
WO-2001051529-A1 PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION EASTMAN CHEMICAL COMPANY (US) 2001-07-19 WO disclosed
US-6194438-B1 ANTITUMOR AGENTS; ANTICANCER AGENTS; FARNESYL-PROTEIN TRANSFERASE INHIBITOR PFIZER INC. 2001-02-27 US disclosed
WO-2000075203-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075202-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075204-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
EP-1006113-A1 Derivatives of 2-(2-oxo-ethylidene)-imidazolidin-4-one and their use to inhibit abnormal cell growth Pfizer Products Inc. (US) 2000-06-07 EP disclosed
EP-0359505-A1 Dopamine-beta hydroxylase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1990-03-21 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 (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-20090270372-A1 NOVEL DERIVATIVES OF BENZIMIDAZOLE AND IMIDAZO-PYRIDINE AND THEIR USE AS MEDICAMENTS MC4R, MC3R, MC1R MIF 277/4885CYP3A4 203/4885TRPA1 601/4885

“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.