SCHEMBL12480937

SCHEMBL12480937

CN(C)c1ccc2[nH]c(-c3cc(NC(=O)c4cccc(OCCCCCCC(=O)NO)c4)ccc3Cl)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.56
▸ HDAC3 O15379 8/20 0.49
▸ HDAC4 P56524 8/20 0.49
▸ HDAC1 Q13547 8/20 0.49
▸ HDAC7 Q8WUI4 8/20 0.49
▸ HDAC2 Q92769 8/20 0.49
▸ HDAC10 Q969S8 8/20 0.49
▸ HDAC11 Q96DB2 8/20 0.49
▸ HDAC8 Q9BY41 8/20 0.49
▸ HDAC6 Q9UBN7 8/20 0.49
▸ HDAC9 Q9UKV0 8/20 0.49
▸ HDAC5 Q9UQL6 8/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ KMT2A Q03164 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
SCHEMBL15424153 0.95 MAPT (0.59) MAPTLMNAGAAMEN1HTT
SCHEMBL12481163 0.90 MAPT (0.55) MAPTLMNAGAAMEN1HTT
SCHEMBL15424154 0.87 MAPT (0.49) MAPTLMNAGAAMEN1HTT
SCHEMBL12481161 0.86 MAPT (0.54) MAPTLMNAGAAMEN1HTT
SCHEMBL19132607 0.85 MAPT (0.61) MAPTLMNAGAAMEN1HTT
SCHEMBL15424141 0.84 MAPT (0.60) MAPTLMNAMEN1HTTKMT2A
SCHEMBL19916692 0.84 MAPT (0.56) MAPTLMNAGAAMEN1HTT
SCHEMBL15424156 0.83 MAPT (0.72) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL12481925 0.83 MAPT (0.65) MAPTLMNAMEN1HTTKMT2A
SCHEMBL19132310 0.82 MAPT (0.54) MAPTLMNAGAAMEN1HTT

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-3321261-B1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS INC (US) 2020-06-17 — — EP disclosed
EP-3321261-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES Curis, Inc. (US) 2018-05-16 — — EP disclosed
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-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GENETECH, INC. (US) 2014-01-16 — — US disclosed
EP-2661425-A2 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES Curis, Inc. (US) 2013-11-13 — — EP disclosed
WO-2012094328-A2 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES CURIS, INC. (US) 2012-07-12 — — 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-20170349573-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GLI1, SHH, HDAC1 MAPT 3245/4885HDAC3 7/4885HDAC4 8/4885
US-20140018368-A1 HEDGEHOG ANTAGONISTS HAVING ZINC BINDING MOIETIES GLI1, SHH, HDAC1 MAPT 3245/4885HDAC3 7/4885HDAC4 8/4885

“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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