SCHEMBL9901741

SCHEMBL9901741

NNC(=Nc1ccccc1Cl)c1ccc(Cl)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
TAAR1 Q96RJ0 1/20 0.41
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
IDO1 P14902 1/20 0.41
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
MGLL Q99685 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL9901737 1.00 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHTR3EHTR3B
SCHEMBL9901347 0.78 HTR3E (0.47) ALDH1A1MAPTKDM4EHTR3EHTR3B
SCHEMBL9901348 0.78 HTR3E (0.47) ALDH1A1MAPTKDM4EHTR3EHTR3B
SCHEMBL9901532 0.74 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHTR3EHTR3B
SCHEMBL9901529 0.74 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EHTR3EHTR3B
SCHEMBL10767060 0.74 ALDH1A1 (0.55) ALDH1A1MAPTHTR3EHTR3BHTR3A
SCHEMBL9901619 0.74 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHTR3EHTR3B
SCHEMBL9901618 0.74 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHTR3EHTR3B
SCHEMBL9901025 0.69 CA1 (0.45) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL9901022 0.69 CA1 (0.45) ALDH1A1HTR3EHTR3BHTR3AHTR3D

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 1603/4885MAPT 2805/4885KDM4E 4148/4885
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 ALDH1A1 1535/4885MAPT 2776/4885KDM4E 4199/4885

“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.