SCHEMBL3485210

SCHEMBL3485210

CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3cccc(OC(F)(F)F)c3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP26A1 O43174 1/20 0.40
CYP26B1 Q9NR63 1/20 0.40
KCNQ2 O43526 1/20 0.40
DHODH Q02127 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL3484832 0.89 KCNQ2 (0.48) KCNH2SCN10AKDM4EGAAKMT2A
SCHEMBL3485915 0.87 CYP26A1 (0.46) KDM4EGAAKMT2ACYP26A1CYP26B1
SCHEMBL3485857 0.84 PPARG (0.50) KDM4EGAAKMT2ACYP26A1CYP26B1
SCHEMBL3485725 0.81 PTGDR2 (0.43) KDM4EKMT2ACYP26A1CYP26B1KCNQ2
SCHEMBL3485179 0.81 FFAR1 (0.57) KDM4EKMT2ACYP26A1CYP26B1CNR2
SCHEMBL3485770 0.80 KCNQ2 (0.42) KDM4EKCNQ2CNR2NPC1ALDH1A1
SCHEMBL3485495 0.80 KCNQ2 (0.47) KDM4EKMT2AKCNQ2CYP1A2CYP3A4
SCHEMBL3485556 0.80 CNR2 (0.52) KDM4EKMT2AKCNQ2CNR2MAPT
SCHEMBL3485512 0.79 KCNQ2 (0.62) KDM4EKMT2AKCNQ2CNR2MAPT
SCHEMBL3485248 0.79 CNR2 (0.44) KDM4ECYP26A1CYP26B1KCNQ2CNR2

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-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
US-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK SHARP & DOHME CORP. 2010-04-08 US disclosed
WO-2008133867-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS MERCK & CO., INC. (US) 2008-11-06 WO 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-20100087446-A1 2-SUBSTITUTED INDOLE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS TRPV1, CACNA1S, TRPV2 KCNH2 48/4885SCN10A 108/4885KDM4E 2869/4885

“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.