SCHEMBL18744324

SCHEMBL18744324

CC(C)(C)c1ccc(N2CCN(OI)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ MAPK1 P28482 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MAPT P10636 4/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ HRH3 Q9Y5N1 3/20 0.42
▸ LMNA P02545 2/20 0.41
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ SMO Q99835 1/20 0.39
▸ DRD4 P21917 1/20 0.39

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
SCHEMBL20178041 0.84 HSD11B1 (0.57) HSD11B1KDM4EALDH1A1HTTMAPK1
SCHEMBL19886187 0.84 HSD11B1 (0.51) HSD11B1KDM4EALDH1A1HTTMAPK1
SCHEMBL19391161 0.79 ADRB1 (0.52) HSD11B1ALDH1A1HTTNPC1L3MBTL1
SCHEMBL17149208 0.79 HSD11B1 (0.45) HSD11B1KDM4EALDH1A1HTTMAPK1
SCHEMBL17147393 0.78 HSD11B1 (0.44) HSD11B1KDM4EALDH1A1HTTMAPK1
SCHEMBL15163882 0.77 HSD11B1 (0.54) HSD11B1KDM4EALDH1A1HTTMAPK1
SCHEMBL270284 0.77 ALDH1A1 (0.59) HSD11B1KDM4EALDH1A1HTTMAPK1
SCHEMBL12125852 0.77 MAPK1 (0.68) HSD11B1KDM4EALDH1A1HTTMAPK1
SCHEMBL12240579 0.77 HSD11B1 (0.69) HSD11B1KDM4EALDH1A1HTTMAPK1
SCHEMBL17151266 0.77 HRH3 (0.44) HSD11B1KDM4EALDH1A1HTTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2020-11-19 — — US disclosed
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-07-26 — — US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 — — US disclosed
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 — — 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 (3 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-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR HSD11B1 1413/4885KDM4E 860/4885ALDH1A1 737/4885
US-20200361914-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR HSD11B1 1413/4885KDM4E 860/4885ALDH1A1 737/4885
US-20180208591-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS CYP3A5, PAICS, CYP4B1 HSD11B1 956/4885KDM4E 1189/4885ALDH1A1 594/4885

“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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