SCHEMBL489625

SCHEMBL489625

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

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
TSHR P16473 3/20 0.58
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.52
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 2/20 0.49
HPGD P15428 1/20 0.49
PKM P14618 1/20 0.48
KIF11 P52732 1/20 0.47

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
SCHEMBL489370 0.94 LMNA (0.59) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL489619 0.91 LMNA (0.56) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL489570 0.81 LMNA (0.63) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL3527407 0.76 LMNA (0.52) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL489208 0.75 LMNA (0.57) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL490274 0.75 LMNA (0.55) LMNATSHRALDH1A1SMN1; SMN2POLB
SCHEMBL15976542 0.73 DHFR (0.77) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL10112948 0.72 MEN1 (0.74) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL10113234 0.71 POLB (0.77) LMNATSHRALDH1A1MEN1KMT2A
SCHEMBL5340104 0.71 KMT2A (0.86) 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 6 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
EP-1515723-B1 SUBSTITUTED DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENT RES FOUNDATION (IN) 2014-02-12 EP disclosed
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 3818/4885TSHR 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.