SCHEMBL489619

SCHEMBL489619

CCCCCCCCC=CCCCCCc1c(OCC)cccc1C1NC(=O)NC(C)=C1C(=O)OC(C)C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
TSHR P16473 3/20 0.51
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 4/20 0.47
TP53 P04637 3/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 1/20 0.46
PABPC1 P11940 1/20 0.44
ADORA2B P29275 1/20 0.44
EIF4H Q15056 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL489625 0.91 LMNA (0.65) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL489370 0.91 LMNA (0.59) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL489570 0.73 LMNA (0.63) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL489208 0.72 LMNA (0.57) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL489806 0.72 LMNA (0.49) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL489737 0.72 CACNA1C (0.43) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL3527407 0.70 LMNA (0.52) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL489303 0.70 CACNA1C (0.47) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL10112948 0.70 MEN1 (0.74) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL3526190 0.69 LMNA (0.47) LMNATSHRALDH1A1MEN1KMT2A

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-7687511-B2 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcium channel blockers PULLELA PHANI KUMAR 2010-03-30 US claimed
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

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 3818/4885TSHR 4844/4885ALDH1A1 1580/4885

“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.