SCHEMBL907983

SCHEMBL907983

FC(F)(F)C1=Nc2ccccc2[N]1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
APAF1 O14727 1/20 0.32
USP2 O75604 1/20 0.32
PLCG1 P19174 1/20 0.32
CCR6 P51684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KIF11 P52732 1/20 0.30

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
SCHEMBL2071909 1.00 ALDH1A1 (0.35) ALDH1A1TSHRAPAF1USP2PLCG1
SCHEMBL4161788 0.66 KDM4E (0.35)
SCHEMBL908059 0.62
SCHEMBL908377 0.62
SCHEMBL908901 0.62
SCHEMBL6965730 0.62 CYP1A2 (0.31)
SCHEMBL1672157 0.62 TSHR (0.33) ALDH1A1TSHRTDP1
SCHEMBL20895105 0.62 NOS1 (0.38) ALDH1A1TSHR
SCHEMBL1947186 0.62 NOS1 (0.38) ALDH1A1TSHR
SCHEMBL7398028 0.62 MAPT (0.33) ALDH1A1TSHRAPAF1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558980-B1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C N C C S S C A R L COLLEZIONE NAZ DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2021-01-27 EP claimed
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 US claimed
EP-3558980-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2019-10-30 EP claimed
WO-2018115275-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION IRBM SCIENCE PARK S.P.A. (IT) 2018-06-28 WO claimed
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 EP claimed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 US claimed
US-9102669-B2 Substituted piperidinyl-pyridazinyl derivatives useful as SCD 1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2015-08-11 US claimed
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2014-12-18 US claimed
US-20140371220-A1 SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-12-18 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2022-06-23 US disclosed
EP-3558980-B1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C N C C S S C A R L COLLEZIONE NAZ DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2021-01-27 EP disclosed
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 US disclosed
US-10798941-B2 Microbiocidal oxadiazole derivatives SYNGENTA PARTICIPATIONS AG (CH) 2020-10-13 US disclosed
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-03-26 US disclosed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
EP-1828171-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2007-09-05 EP disclosed
WO-2007052073-A2 HETEROCYCLE SUBSTITUTED AMIDE AND SULFUR AMIDE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-05-10 WO disclosed
WO-2006061638-A2 HETEROCYCLE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-06-15 WO disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 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 (6 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-20140371220-A1 SUBSTITUTED PIPERIDINYL-PYRIDAZINYL DERIVATIVES USEFUL AS SCD 1 INHIBITORS SCD, SCD5, PLIN1 ALDH1A1 799/4885TSHR 3237/4885APAF1 632/4885
US-10798941-B2 Microbiocidal oxadiazole derivatives PRF1, NOX1, ARG1 ALDH1A1 480/4885TSHR 2937/4885APAF1 465/4885
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection NISCH, TK2, FDPS ALDH1A1 1658/4885TSHR 4550/4885APAF1 2928/4885
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION NISCH, TK2, FDPS ALDH1A1 1658/4885TSHR 4550/4885APAF1 2928/4885
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives CXCR3, CXCR1, CXCR2 ALDH1A1 1249/4885TSHR 254/4885APAF1 3690/4885
US-20220194907-A1 PROCESS FOR THE PREPARATION OF MICROBIOCIDAL OXADIAZOLE DERIVATIVES CYP51A1, MPO, NOX5 ALDH1A1 258/4885TSHR 4538/4885APAF1 882/4885

“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.