SCHEMBL9901416

SCHEMBL9901416

CCOC(=O)c1ccc(OCC)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSP90AA1 P07900 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 1/20 0.48
GABRP O00591 5/20 0.48
GABRD O14764 5/20 0.48
GABRA1 P14867 5/20 0.48
GABRB1 P18505 5/20 0.48
GABRG2 P18507 5/20 0.48
GABRB3 P28472 5/20 0.48
GABRA5 P31644 5/20 0.48
GABRA3 P34903 5/20 0.48
GABRA2 P47869 5/20 0.48
GABRB2 P47870 5/20 0.48
GABRA4 P48169 5/20 0.48
GABRE P78334 5/20 0.48
GABRA6 Q16445 5/20 0.48
GABRG1 Q8N1C3 5/20 0.48

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
SCHEMBL31620610 0.86 MAPK1 (0.59) CYP1A2SMN1; SMN2RAB9AMAPK1NPC1
SCHEMBL10270980 0.86 MAPK1 (0.59) CYP1A2SMN1; SMN2RAB9AMAPK1NPC1
SCHEMBL749735 0.86 CYP1A2 (0.45) CYP1A2MAPTSMN1; SMN2HSP90AA1RAB9A
SCHEMBL2140228 0.85 NPC1 (0.50) CYP1A2MAPTSMN1; SMN2RAB9AGABRP
SCHEMBL712413 0.84 CYP1A2 (0.50) CYP1A2MAPTSMN1; SMN2HSP90AA1RAB9A
SCHEMBL226698 0.84 P4HTM (0.69) HSP90AA1RAB9AGABRA1GABRG2GABRB3
SCHEMBL2891190 0.83 GABRA1 (0.46) CYP1A2MAPTSMN1; SMN2HSP90AA1RAB9A
SCHEMBL15670153 0.82 CYP1A2 (0.42) CYP1A2MAPTSMN1; SMN2HSP90AA1RAB9A
SCHEMBL82426 0.82 CYP1A2 (0.55) CYP1A2MAPTSMN1; SMN2RAB9AMAPK1
SCHEMBL31172628 0.82 CYP1A2 (0.55) CYP1A2MAPTSMN1; SMN2RAB9AMAPK1

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 15 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-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-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-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
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 CYP1A2 1160/4885MAPT 2805/4885SMN1; SMN2 4693/4885
US-20140031374-A1 TRIAZOLE DERIVATIVES AS WNT SIGNALING PATHWAY INHIBITORS CTNNB1, WNT1, CTNNA1 CYP1A2 1167/4885MAPT 2776/4885SMN1; SMN2 4721/4885

“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.