SCHEMBL9926182

SCHEMBL9926182

O=C(Nc1ccccc1Cl)c1ccc(OCC(F)(F)F)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.53
MCL1 Q07820 1/20 0.50
LIPE Q05469 3/20 0.48
MEN1 O00255 1/20 0.45
S1PR2 O95136 1/20 0.45
S1PR4 O95977 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
XBP1 P17861 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
PAX8 Q06710 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
S1PR3 Q99500 1/20 0.45
S1PR5 Q9H228 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
CYP1A2 P05177 1/20 0.44

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
SCHEMBL30763014 0.83 P4HTM (0.56) P4HTMMCL1MEN1LMNAGAA
SCHEMBL9901112 0.83 P4HTM (0.56) P4HTMMCL1MEN1LMNAGAA
Ammonia Solution, Strong SCHEMBL20302235 0.82 P4HTM (0.55) P4HTMMCL1MEN1LMNAGAA
SCHEMBL9901196 0.81 LIPE (0.37) P4HTMLIPEMEN1S1PR2S1PR4
SCHEMBL15991475 0.79 ALDH1A1 (0.57) SMN1; SMN2NPC1RAB9ACYP1A2BACE1
SCHEMBL9902929 0.75 P4HTM (0.67) P4HTMMCL1LMNAMAPTSMN1; SMN2
SCHEMBL287075 0.75 P4HTM (0.58) P4HTMMEN1S1PR2S1PR4LMNA
SCHEMBL286756 0.74 MAPK1 (0.53) MEN1LMNAKMT2APAX8SMN1; SMN2
SCHEMBL9901490 0.74 HTR3E (0.35) P4HTMMEN1S1PR2S1PR4LMNA
SCHEMBL9901488 0.74 HTR3E (0.35) P4HTMMEN1S1PR2S1PR4LMNA

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 5 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
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 P4HTM 2605/4885MCL1 918/4885LIPE 4666/4885
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 P4HTM 2527/4885MCL1 780/4885LIPE 4631/4885

“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.