SCHEMBL19685586

SCHEMBL19685586

CC(CC(C)(C)COc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(N(C)C)ccc4[nH]3)c2)c1)C(=O)NO

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.53
▸ LMNA P02545 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL19685401 0.93 MAPT (0.44) MAPTLMNAMEN1HTTKMT2A
SCHEMBL19916692 0.92 MAPT (0.56) MAPTLMNAMEN1HTTKMT2A
SCHEMBL19132310 0.88 MAPT (0.54) MAPTLMNAMEN1HTTKMT2A
SCHEMBL19132607 0.85 MAPT (0.61) MAPTLMNAMEN1HTTKMT2A
SCHEMBL19916727 0.84 MAPT (0.46) MAPTLMNAMEN1HTTKMT2A
SCHEMBL15424153 0.83 MAPT (0.59) MAPTLMNAMEN1HTTKMT2A
SCHEMBL12480937 0.81 MAPT (0.56) MAPTLMNAMEN1HTTKMT2A
SCHEMBL15424141 0.81 MAPT (0.60) MAPTLMNAMEN1HTTKMT2A
SCHEMBL12481925 0.81 MAPT (0.65) MAPTLMNAMEN1HTTKMT2A
SCHEMBL12481161 0.79 MAPT (0.54) MAPTLMNAMEN1HTTKMT2A

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 3245/4885LMNA 4754/4885MEN1 3364/4885

“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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