SCHEMBL21532002

SCHEMBL21532002

CC(O)N1c2ccc(B3OC(C)(C)C(C)(C)O3)cc2N(C(=O)c2ccco2)C[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.46
▸ HTT P42858 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ LPL P06858 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HIF1A Q16665 1/20 0.34

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
SCHEMBL21674956 0.87 BRD4 (0.49) BRD4HTTMAPTALDH1A1POLB
SCHEMBL16721367 0.85 BRD4 (0.66) BRD4HTTMAPTALDH1A1LPL
SCHEMBL16721365 0.85 BRD4 (0.66) BRD4HTTMAPTALDH1A1LPL
SCHEMBL21531972 0.75 BRD4 (0.62) BRD4HTTMAPTALDH1A1NPC1
SCHEMBL21531940 0.70 BRD4 (0.58) BRD4
SCHEMBL23734063 0.69 BACE1 (0.32) LPLLIPG
SCHEMBL26132389 0.68 BRD4 (0.44) BRD4MAPT
SCHEMBL26132384 0.68 BRD4 (0.44) BRD4MAPT
SCHEMBL21675331 0.66 BRD4 (0.55) BRD4HTTMAPTALDH1A1POLB
SCHEMBL16721757 0.65 BRD4 (0.75) BRD4HTTMAPTALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors FORMA THERAPEUTICS, INC. (US) 2020-07-07 — — US disclosed
US-20190330233-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2019-10-31 — — 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-20190330233-A1 BENZOPIPERAZINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRPF3, BRD7 BRD4 1/4885HTT 2378/4885MAPT 3623/4885
US-10703764-B2 Benzopiperazine compositions as BET bromodomain inhibitors BRD4, BRPF3, BRD7 BRD4 1/4885HTT 2378/4885MAPT 3623/4885

“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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