SCHEMBL489694

SCHEMBL489694

C=C(C=CCC(CCCCCCCCC)c1ccccc1C1NC(=O)NC(C)=C1C(=O)OC)OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.42
POLB P06746 3/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2B P29275 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL490056 0.95 LMNA (0.50) LMNAALDH1A1MAPTPOLBTSHR
SCHEMBL4866791 0.90 LMNA (0.54) LMNAALDH1A1MAPTPOLBTSHR
SCHEMBL489806 0.87 LMNA (0.49) LMNAALDH1A1MAPTPOLBTSHR
SCHEMBL489098 0.76 LMNA (0.46) LMNAALDH1A1MAPTPOLBTSHR
SCHEMBL489352 0.72 PPARG (0.36)
SCHEMBL490102 0.72 LMNA (0.47) LMNAALDH1A1MAPTPOLBTSHR
SCHEMBL489343 0.71 LMNA (0.49) LMNAALDH1A1MAPTPOLBTSHR
SCHEMBL3526190 0.70 LMNA (0.47) LMNAALDH1A1MAPTPOLBTSHR
SCHEMBL489370 0.69 LMNA (0.59) LMNAALDH1A1MAPTPOLBTSHR
SCHEMBL10112948 0.69 MEN1 (0.74) LMNAALDH1A1MAPTPOLBTSHR

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-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 US claimed
US-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-7687511-B2 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcium channel blockers PULLELA PHANI KUMAR 2010-03-30 US disclosed
US-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 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-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS ORAI1, RYR2, RYR1 LMNA 3818/4885ALDH1A1 1580/4885MAPT 1688/4885

“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.