SCHEMBL2291466

SCHEMBL2291466

COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccc(N(C)C)cc4[nH]3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.65
▸ MEN1 O00255 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ DGAT1 O75907 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TP53 P04637 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ KDR P35968 1/20 0.45

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
SCHEMBL29526041 1.00 MAPT (0.65) MAPTMEN1HTTKMT2ADGAT1
SCHEMBL2157955 0.93 MAPT (0.65) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL1268279 0.86 MAPT (0.85) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL12482070 0.84 MAPT (0.57) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14642415 0.84 MAPT (0.65) MAPTMEN1HTTKMT2ADGAT1
SCHEMBL13679575 0.84 MAPT (0.73) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL13679552 0.83 MAPT (0.69) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL12481506 0.83 MAPT (0.55) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL14615282 0.82 MAPT (0.68) MAPTMEN1HTTKMT2ADGAT1
SCHEMBL13679580 0.81 MAPT (0.67) MAPTMEN1HTTKMT2AKDM4E

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346499-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2011-07-27 — — EP claimed
WO-2010037715-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2010-04-08 — — WO claimed
EP-2661425-B1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2018-02-28 — — EP disclosed
US-20170349573-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2017-12-07 — — US disclosed
US-9708299-B2 Hedgehog antagonists having zinc binding moieties GENENTECH, INC. (US) 2017-07-18 — — US disclosed
EP-3023097-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2016-05-25 — — EP disclosed
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GENETECH, INC. (US) 2014-01-16 — — US disclosed
EP-2617414-A2 Smoothened antagonism for the treatment of hedgehog pathway-related disorders Novartis AG (CH) 2013-07-24 — — EP 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-20170349573-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GLI1, SHH, HDAC1 MAPT 3245/4885MEN1 3364/4885HTT 1409/4885
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GLI1, SHH, HDAC1 MAPT 3245/4885MEN1 3364/4885HTT 1409/4885

“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.

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