SCHEMBL13435646

SCHEMBL13435646

CCOC(=O)C1Cc2cc(C(C)(C)C(=O)OCC)ccc2N1CC(=O)NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.36
NR1I2 O75469 4/20 0.35
KDM4E B2RXH2 3/20 0.34
CACNA1B Q00975 2/20 0.34
NR1D1 P20393 1/20 0.34
RORC P51449 1/20 0.34
POLB P06746 1/20 0.33
CNR2 P34972 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
USP2 O75604 1/20 0.32
HDAC8 Q9BY41 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
SCHEMBL13435579 0.68 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1GAAKDM4EPOLB
SCHEMBL27808825 0.67 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KDM4ERORCPOLB
SCHEMBL13435818 0.67 CNR2 (0.38) ALDH1A1GAAKDM4ECACNA1BRORC
SCHEMBL3485182 0.67 NR1I2 (0.62) SMN1; SMN2ALDH1A1GAANR1I2KDM4E
SCHEMBL3486170 0.67 NR1I2 (0.62) ALDH1A1GAANR1I2KDM4ECACNA1B
SCHEMBL28009386 0.64 SHMT2 (0.39) ALDH1A1GAAKDM4ENR1D1POLB
SCHEMBL11389554 0.64 NR1D1 (0.49) ALDH1A1KDM4ENR1D1
SCHEMBL10228098 0.64 CNR2 (0.51) SMN1; SMN2KDM4ECACNA1BRORCCNR2
SCHEMBL8377833 0.63 ALDH1A1 (0.41) ALDH1A1KDM4EPOLBMEN1MAPT
SCHEMBL8377838 0.63 ALDH1A1 (0.42) ALDH1A1GAAKDM4EPOLBMEN1

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 1 patent. 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

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 SMN1; SMN2 650/4885ALDH1A1 541/4885GAA 2624/4885

“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.