SCHEMBL9901488

SCHEMBL9901488

FC(F)(F)COc1ccc(/C(Cl)=N/c2ccccc2Cl)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.35
HTR3B O95264 2/20 0.35
HTR3A P46098 2/20 0.35
HTR3D Q70Z44 2/20 0.35
HTR3C Q8WXA8 2/20 0.35
P4HTM Q9NXG6 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CNR2 P34972 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GPR3 P46089 1/20 0.33
GABRA1 P14867 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
SCHEMBL9901490 1.00 HTR3E (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15452798 0.84 ALDH1A1 (0.39) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15449872 0.84 NOS3 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL17394864 0.79 CACNA1G (0.36) P4HTMCACNA1GCACNA1HCNR2KCNH2
SCHEMBL17394865 0.79 CACNA1G (0.36) P4HTMCACNA1GCACNA1HCNR2KCNH2
SCHEMBL15452794 0.76 ALDH1A1 (0.36) P4HTMCACNA1GCACNA1HCNR2KCNH2
SCHEMBL9926178 0.76 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15441016 0.76 HTR3E (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9926182 0.74 P4HTM (0.53) P4HTMLMNACYP1A2CYP2C19BACE1
SCHEMBL9901196 0.71 LIPE (0.37) P4HTMCACNA1GCACNA1HCNR2KCNH2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403812-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2016-08-02 US disclosed
US-9403812-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2016-08-02 US disclosed
US-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2015-11-12 US disclosed
US-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2015-11-12 US disclosed
US-9096587-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2015-08-04 US disclosed
US-9096587-B2 Triazole derivatives as Wnt signaling pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2015-08-04 US disclosed
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO University Hospital, HF (NO) 2014-01-30 US disclosed
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO University Hospital, HF (NO) 2014-01-30 US disclosed
EP-2649063-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS Oslo University Hospital HF (NO) 2013-10-16 EP disclosed
WO-2012076898-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2012-06-14 WO disclosed
WO-2012076898-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2012-06-14 WO 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-20150322057-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 HTR3E 1972/4885HTR3B 1936/4885HTR3A 1708/4885
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 HTR3E 1827/4885HTR3B 1840/4885HTR3A 1716/4885

“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.