SCHEMBL11920132

SCHEMBL11920132

Cl/C(=N/c1ccccc1Cl)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
TAAR1 Q96RJ0 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
TYK2 P29597 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 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
SCHEMBL9926089 1.00 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL15441160 1.00 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11388504 0.85 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13726464 0.85 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11388494 0.85 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9901532 0.77 ALDH1A1 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20303182 0.77 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9901529 0.77 ALDH1A1 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9926216 0.77 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9926242 0.72 ESR1 (0.44) HTR3EHTR3BHTR3AHTR3DHTR3C

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 9 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-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-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 US disclosed
US-8883827-B2 Azole derivatives as WTN pathway inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2014-11-11 US disclosed
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS OSLO University Hospital, HF (NO) 2014-01-30 US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 US disclosed
US-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors OSLO UNIVERSITY HOSPITAL HF (NO) 2012-08-16 US disclosed
WO-2010139966-A1 AZOLE DERIVATIVES AS WTN PATHWAY INHIBITORS OSLO UNIVERSITY HOSPITAL HF (NO) 2010-12-09 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 (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-20120208828-A1 Azole Derivatives as WTN Pathway Inhibitors WNT1, AXIN2, WNT3 HTR3E 4369/4885HTR3B 4115/4885HTR3A 4543/4885
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.