SCHEMBL17792558

SCHEMBL17792558

CC(=O)NCc1c(C)[nH][nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.40
▸ GAA P10253 5/20 0.40
▸ GFER P55789 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ELANE P08246 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ ALOX15 P16050 1/20 0.32

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
SCHEMBL18744290 0.81 GAA (0.39) KDM4EGAAGFERKMT2AALDH1A1
SCHEMBL17792496 0.78 NPSR1 (0.33) KDM4EKMT2AALDH1A1NPSR1LMNA
SCHEMBL17792500 0.78 GRIA1 (0.49) KDM4EKMT2AALDH1A1NPSR1LMNA
SCHEMBL17792562 0.69 CYP1A2 (0.34) KDM4EGAAKMT2AALDH1A1NPSR1
SCHEMBL19195013 0.68 KDM4E (0.47) KDM4EKMT2AALDH1A1NPSR1HSD17B10
SCHEMBL19194554 0.68 EZH2 (0.54) —
SCHEMBL17792559 0.67 CYP1A2 (0.33) KDM4EGAAKMT2AALDH1A1NPSR1
SCHEMBL17792537 0.67 EZH2 (0.35) KDM4EKMT2AALDH1A1NPSR1LMNA
SCHEMBL17297932 0.66 ALDH1A1 (0.39) KDM4EKMT2AALDH1A1NPSR1HSD17B10
SCHEMBL17297931 0.66 MTNR1A (0.41) KDM4EALDH1A1HSD17B10CYP1A2MAPT

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-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 — — US disclosed
US-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-06-02 — — 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-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, PAICS KDM4E 1368/4885GAA 449/4885GFER 3240/4885

“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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