SCHEMBL9901619

SCHEMBL9901619

NNC(=Nc1ccccc1Cl)c1ccc(Cl)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
IDO1 P14902 2/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
TAAR1 Q96RJ0 1/20 0.40
MAOB P27338 1/20 0.38
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
PLAU P00749 1/20 0.37
RAB9A P51151 3/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.36
NPC1 O15118 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9901618 1.00 ALDH1A1 (0.44) ALDH1A1IDO1HTR3EHTR3BHTR3A
SCHEMBL9926084 0.81 CA1 (0.41) ALDH1A1IDO1HTR3EHTR3BHTR3A
SCHEMBL9902236 0.81 RAB9A (0.54) ALDH1A1IDO1HTR3EHTR3BHTR3A
SCHEMBL9902234 0.81 RAB9A (0.54) ALDH1A1IDO1HTR3EHTR3BHTR3A
SCHEMBL9926178 0.79 HTR3E (0.44) ALDH1A1IDO1HTR3EHTR3BHTR3A
SCHEMBL15441016 0.79 HTR3E (0.44) ALDH1A1IDO1HTR3EHTR3BHTR3A
SCHEMBL9901890 0.79 P2RX7 (0.49) ALDH1A1IDO1HTR3EHTR3BHTR3A
SCHEMBL9901888 0.79 P2RX7 (0.49) ALDH1A1IDO1HTR3EHTR3BHTR3A
SCHEMBL15452798 0.78 ALDH1A1 (0.39) ALDH1A1IDO1HTR3EHTR3BHTR3A
SCHEMBL9901741 0.74 ALDH1A1 (0.54) ALDH1A1IDO1HTR3EHTR3BHTR3A

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 6 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-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

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 ALDH1A1 1603/4885IDO1 2725/4885HTR3E 1972/4885
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 ALDH1A1 1535/4885IDO1 2537/4885HTR3E 1827/4885

“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.