SCHEMBL3485495

SCHEMBL3485495

CCOC(=O)C(C)(C)c1ccc2[nH]c(-c3ccc(F)cc3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.47
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP1A1 P04798 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
GCGR P47871 1/20 0.41
MAPK14 Q16539 1/20 0.41
CNR2 P34972 4/20 0.39
F10 P00742 1/20 0.39
MMP2 P08253 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 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
SCHEMBL3485770 0.91 KCNQ2 (0.42) KCNQ2CYP1A1PTGDR2CNR2F10
SCHEMBL3485857 0.88 PPARG (0.50) KCNQ2MEN1KMT2APTGDR2CNR2
SCHEMBL3485512 0.88 KCNQ2 (0.62) KCNQ2MEN1KMT2ACNR2F10
SCHEMBL3484832 0.87 KCNQ2 (0.48) KCNQ2MEN1KMT2APTGDR2F10
SCHEMBL13435458 0.87 KCNQ2 (0.48) KCNQ2MEN1KMT2APTGDR2CNR2
SCHEMBL8165963 0.86 PTGDR2 (0.41) KCNQ2CYP1A1PTGDR2CNR2F10
SCHEMBL3485556 0.86 CNR2 (0.52) KCNQ2MEN1KMT2ACNR2F10
SCHEMBL3485839 0.86 CDK5 (0.46) KCNQ2PTGDR2CNR2F10MMP2
SCHEMBL3484803 0.86 FFAR1 (0.43) KCNQ2MEN1CYP2C19KMT2ACYP1A1
SCHEMBL3485725 0.85 PTGDR2 (0.43) KCNQ2KMT2APTGDR2CNR2F10

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 KCNQ2 103/4885MEN1 1585/4885CYP1A2 1194/4885

“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.