SCHEMBL391932

SCHEMBL391932

Cn1c(S)nnc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.34
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HSD11B1 P28845 1/20 0.31

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
SCHEMBL16363146 0.82 MAPT (0.42) MAPTALDH1A1RECQLMEN1TSHR
SCHEMBL4785865 0.73 MAPT (0.38) MAPTALDH1A1RECQLMEN1TSHR
SCHEMBL13093073 0.73 MAPT (0.38) MAPTALDH1A1RECQLMEN1TSHR
SCHEMBL9176037 0.73
SCHEMBL2550894 0.71
SCHEMBL11469968 0.70
SCHEMBL13814459 0.70 MAPT (0.50) MAPTALDH1A1RECQLMEN1TSHR
SCHEMBL8632017 0.69 CYP3A4 (0.35) SMN1; SMN2
SCHEMBL7813991 0.69 S1PR1 (0.34) MAPTALDH1A1RECQLMEN1TSHR
SCHEMBL23562435 0.68 RECQL (0.39) MAPTALDH1A1RECQLMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63122608-A None JP disclosed
US-20180194778-A1 ANTIMICROBIAL PROCHELATORS TO TARGET DRUG-RESISTANT BACTERIA AND METHODS OF MAKING AND USING THE SAME DUKE UNIVERSITY 2018-07-12 US disclosed
EP-1817037-B1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2013-04-03 EP disclosed
US-8202868-B2 4-piperazinyl-pyrimidine compounds suitable for treating disorders that respond to modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2012-06-19 US disclosed
US-20120095015-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2012-04-19 US disclosed
US-8101754-B2 e.g., 2-tert-Butyl-4-{4-[3-(4-methyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-propyl]-piperazin-1-yl}-6-(1-methylcyclopropyl)-pyrimidine hydrochloride; central nervous system disorders; schizophrenia; antidepressant, anxiolytic agent, cognition activator; Parkinson's and Alzheimer's diseases ABBOTT GMBH & CO. KG (DE) 2012-01-24 US disclosed
EP-2311830-A1 Additional heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-1723144-B1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-10-06 EP disclosed
EP-1778684-B1 4-PIPERAZINYL-PYRIMIDINE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D<sb>3</sb> RECEPTOR ABBOTT GMBH & CO KG (DE) 2009-12-16 EP disclosed
US-20090264437-A1 4-Piperazinyl-Pyrimidine Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ABBOTT GMBH & CO. KG (DE) 2009-10-22 US disclosed
US-4758557-A Cephalosporin derivatives and bactericides containing the same MEIJI SEIKA KAISHA, LTD. (JP) 1988-07-19 US disclosed
JP-S63122608-A MOTHPROOFING COMPOSITION SUMITOMO CHEM CO LTD 1988-05-26 JP disclosed
EP-0209751-A2 Cephalosporin derivatives and bactericides containing the same MEIJI SEIKA KAISHA LTD. (JP) 1987-01-28 EP disclosed
US-4477459-A Fungicidal 4-substituted-5-trifluoromethyl-3-(1,2-dichloro-2-cyanovinyl thio)-1,2,4-triazoles CHEVRON RESEARCH COMPANY (US) 1984-10-16 US disclosed
EP-0017238-B1 CEPHALOSPORIN DERIVATIVES AND PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1983-03-16 EP disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
EP-0017238-A1 Cephalosporin derivatives and process for their preparation and pharmaceutical compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-10-15 EP disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed
US-3985739-A 3-Heterocyclic thiomethylcephalosporins SMITHKLINE CORPORATION (US) 1976-10-12 US disclosed
US-3968226-A 3-Heterocyclic thiomethylcephalosporins as antibacterial agents SMITHKLINE CORPORATION (US) 1976-07-06 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 (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-20090264437-A1 4-Piperazinyl-Pyrimidine Compounds Suitable for Treating Disorders that Respond to Modulation of the Dopamine D3 Receptor ADRA1D, ADRA1A, ADRA2A MAPT 2404/4885ALDH1A1 250/4885RECQL 424/4885
US-20180194778-A1 ANTIMICROBIAL PROCHELATORS TO TARGET DRUG-RESISTANT BACTERIA AND METHODS OF MAKING AND USING THE SAME CLPP, CTSL, PGLS MAPT 4550/4885ALDH1A1 1750/4885RECQL 463/4885
US-20120095015-A1 TRIAZOLE COMPOUNDS SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE DOPAMINE D3 RECEPTOR ADRB3, DRD3, ADORA3 MAPT 2921/4885ALDH1A1 511/4885RECQL 3362/4885

“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.