SCHEMBL15425118

SCHEMBL15425118

CN(C)c1ccc2[nH]c(-c3cc(NC(=O)c4ccc(CN(C)c5ncc(C(=O)NO)cn5)cc4Cl)ccc3Cl)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.40
▸ SMO Q99835 1/20 0.40
▸ USP28 Q96RU2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL15425107 0.91 MEN1 (0.53) MEN1HTTKMT2AMAPTSMO
SCHEMBL15425122 0.89 HDAC3 (0.44) MEN1HTTKMT2AMAPTUSP28
SCHEMBL12481472 0.86 MAPT (0.50) MEN1HTTKMT2AMAPTSMO
SCHEMBL15424151 0.84 MEN1 (0.49) MEN1HTTKMT2AMAPTTP53
SCHEMBL15424197 0.84 USP28 (0.47) MEN1HTTKMT2AMAPTSMO
SCHEMBL15424145 0.81 MEN1 (0.53) MEN1HTTKMT2AMAPTTP53
SCHEMBL15424134 0.79 HDAC3 (0.46) MEN1HTTKMT2AMAPTSMO
SCHEMBL15424141 0.79 MAPT (0.60) MEN1HTTKMT2AMAPTTP53
SCHEMBL12481234 0.78 USP28 (0.56) SMOUSP28HDAC3HDAC1HDAC2
SCHEMBL19129025 0.78 HDAC4 (0.42) MAPTUSP28TP53RXFP1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 MEN1 3364/4885HTT 1409/4885KMT2A 126/4885
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GLI1, SHH, HDAC1 MEN1 3364/4885HTT 1409/4885KMT2A 126/4885

“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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