SCHEMBL489634

SCHEMBL489634

C=C(C=CC=C(CCCCCCCCC)c1ccccc1C1NC(=O)NC(C)=C1C(=O)OCC)OCC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
POLB P06746 3/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.45
APEX1 P27695 1/20 0.45
ADORA2B P29275 1/20 0.45
ESR2 Q92731 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 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
SCHEMBL489343 0.95 LMNA (0.49) LMNAPOLBTSHRALDH1A1KDM4E
SCHEMBL489545 0.93 LMNA (0.47) LMNAPOLBTSHRALDH1A1ADORA2B
SCHEMBL489098 0.90 LMNA (0.46) LMNAPOLBTSHRALDH1A1ADORA2B
SCHEMBL4866791 0.76 LMNA (0.54) LMNAPOLBTSHRALDH1A1KDM4E
SCHEMBL489768 0.73 TDP1 (0.36) LMNAPOLBTSHRALDH1A1KDM4E
SCHEMBL10113234 0.71 POLB (0.77) LMNAPOLBTSHRALDH1A1KDM4E
SCHEMBL489806 0.70 LMNA (0.49) LMNAPOLBTSHRALDH1A1ADORA2B
SCHEMBL5342389 0.70 CA1 (0.76) LMNAPOLBTSHRALDH1A1KDM4E
SCHEMBL31705449 0.70 CA1 (0.76) LMNAPOLBTSHRALDH1A1KDM4E
SCHEMBL2951080 0.69 POLB (0.74) LMNAPOLBTSHRALDH1A1KDM4E

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 3818/4885POLB 3554/4885TSHR 4844/4885

“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.