SCHEMBL18060440

SCHEMBL18060440

CC(=O)N1c2ccc(C3CN(C)CN3)cc2N(C(=O)c2ccco2)C[C@@H]1C

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 14/20 0.66
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL21249927 0.85 BRD4 (0.63) BRD4HTTALDH1A1MAPTNPC1
SCHEMBL16723013 0.85 BRD4 (0.63) BRD4HTTMAPT
SCHEMBL18067025 0.85 BRD4 (0.59) BRD4HTTALDH1A1MAPT
SCHEMBL17021673 0.84 BRD4 (0.62) BRD4HTTMAPTNPC1RAB9A
SCHEMBL16722565 0.84 BRD4 (0.73) BRD4HTTALDH1A1MAPTNPC1
SCHEMBL21674980 0.84 BRD4 (0.73) BRD4HTTALDH1A1MAPTNPC1
SCHEMBL16722998 0.83 BRD4 (0.67) BRD4HTTALDH1A1MAPTRAB9A
SCHEMBL21531959 0.82 BRD4 (0.59) BRD4HTTALDH1A1MAPTNPC1
SCHEMBL17021684 0.82 BRD4 (0.64) BRD4HTTALDH1A1MAPTNPC1
SCHEMBL18067102 0.82 BRD4 (0.64) BRD4HTTMAPTNPC1RAB9A

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-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2016-09-08 — — 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-20160256458-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885HTT 2378/4885ALDH1A1 4041/4885

“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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