SCHEMBL19413181

SCHEMBL19413181

Cc1ccc(C(=O)N2CCN(OI)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.64
▸ PKM P14618 2/20 0.64
▸ HPGD P15428 1/20 0.58
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ LMNA P02545 3/20 0.54
▸ SLC6A7 Q99884 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ KCNA5 P22460 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ GABRD O14764 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ GABRB1 P18505 1/20 0.50
▸ GABRA5 P31644 1/20 0.50
▸ GABRA3 P34903 1/20 0.50
▸ GABRA2 P47869 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ GABRA4 P48169 1/20 0.50
▸ GPR183 P32249 1/20 0.49

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
SCHEMBL4557193 0.86 ALDH1A1 (0.84) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL10726712 0.86 ALDH1A1 (0.84) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL19390999 0.83 CA12 (0.58) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL18744267 0.83 MEN1 (0.69) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL20417313 0.83 ALDH1A1 (0.69) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL21915955 0.81 PKM (0.70) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL82433 0.79 ALDH1A1 (0.72) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL6745615 0.79 PKM (0.72) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL10194850 0.79 PKM (0.72) ALDH1A1PKMHPGDMEN1KMT2A
SCHEMBL27939943 0.78 ALDH1A1 (0.57) ALDH1A1PKMHPGDMEN1KMT2A

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-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2018-03-08 — — US disclosed
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 — — 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-20180065954-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, PAICS ALDH1A1 552/4885PKM 2466/4885HPGD 295/4885

“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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