SCHEMBL15424152

SCHEMBL15424152

O=C(/C=C/c1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1)NO

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.65
▸ MEN1 O00255 2/20 0.63
▸ HTT P42858 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ HDAC1 Q13547 2/20 0.60
▸ HDAC8 Q9BY41 2/20 0.60
▸ HDAC6 Q9UBN7 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ TP53 P04637 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ LMNA P02545 1/20 0.49

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
SCHEMBL15424144 0.92 MEN1 (0.64) MAPTMEN1HTTKMT2AHDAC1
SCHEMBL15424147 0.88 MAPT (0.53) MAPTMEN1HTTKMT2AHDAC1
SCHEMBL15424138 0.86 MAPT (0.75) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL20145704 0.83 MEN1 (0.60) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL15424171 0.83 MAPT (0.51) MAPTMEN1HTTKMT2AHDAC1
SCHEMBL19128950 0.83 HDAC1 (0.50) MAPTMEN1HTTKMT2AHDAC1
SCHEMBL15424192 0.82 MAPT (0.52) MAPTMEN1HTTKMT2AHDAC1
SCHEMBL15424140 0.82 MEN1 (0.73) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL5820403 0.81 MAPT (0.74) MAPTMEN1HTTKMT2AKDM4E
SCHEMBL19916689 0.81 HDAC3 (0.57) HDAC1HDAC8HDAC6HDAC3HDAC4

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
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
US-9708299-B2 Hedgehog antagonists having zinc binding moieties GENENTECH, INC. (US) 2017-07-18 — — US disclosed
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GENETECH, INC. (US) 2014-01-16 — — US disclosed
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GENETECH, INC. (US) 2014-01-16 — — US 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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