SCHEMBL17792505

SCHEMBL17792505

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RAB9A P51151 2/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GRIA2 P42262 2/20 0.30
▸ GRIK1 P39086 1/20 0.30
▸ GRIA1 P42261 1/20 0.30
▸ GRIA3 P42263 1/20 0.30
▸ GRIA4 P48058 1/20 0.30
▸ GRIK2 Q13002 1/20 0.30
▸ GRIK3 Q13003 1/20 0.30
▸ GRIK4 Q16099 1/20 0.30
▸ GRIK5 Q16478 1/20 0.30

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
SCHEMBL17789065 0.85 LMNA (0.36) LMNAL3MBTL1MAPT
SCHEMBL17792562 0.78 CYP1A2 (0.34) LMNARAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL17792532 0.75 CYP1A2 (0.33) LMNARAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL17792538 0.74 MTNR1A (0.33) LMNARAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL17792526 0.72 CYP1A2 (0.33) LMNARAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL17792533 0.70 KDM4E (0.48) CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL17792536 0.68 CSNK1A1 (0.38) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17792497 0.68 CYP1A2 (0.30) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17792491 0.66 CYP1A2 (0.33) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL17792574 0.65 CYP1A2 (0.30) CYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-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 LMNA 2411/4885L3MBTL1 3620/4885RAB9A 1871/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR LMNA 2158/4885L3MBTL1 2668/4885RAB9A 4068/4885

“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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