SCHEMBL490102

SCHEMBL490102

CCCCCCCCC=CCCCC(Cc1ccccc1C1NC(=O)NC(C)=C1C(=O)OC)OC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 1/20 0.41
ADORA2B P29275 1/20 0.41
TP53 P04637 2/20 0.40

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
SCHEMBL3526190 0.93 LMNA (0.47) LMNAALDH1A1TSHRPOLBMAPT
SCHEMBL3527407 0.87 LMNA (0.52) LMNAALDH1A1TSHRPOLBMAPT
SCHEMBL10279641 0.76 SMN1; SMN2 (0.58) LMNAALDH1A1TSHRPOLBMAPT
SCHEMBL489370 0.76 LMNA (0.59) LMNAALDH1A1TSHRPOLBMAPT
SCHEMBL490056 0.70 LMNA (0.50) LMNAALDH1A1TSHRPOLBMAPT
SCHEMBL489625 0.70 LMNA (0.65) LMNAALDH1A1TSHRPOLBSMN1; SMN2
SCHEMBL10113540 0.69 ADORA2B (0.61) ALDH1A1TSHRPOLBSMN1; SMN2MEN1
SCHEMBL489099 0.69 F7 (0.37) MAPTHSD17B10
SCHEMBL10112948 0.68 MEN1 (0.74) LMNAALDH1A1TSHRPOLBMAPT
SCHEMBL489464 0.68 ALDH1A1 (0.50) LMNAALDH1A1TSHRPOLBSMN1; SMN2

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 12 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-A2 SUBSTITUTED DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2005-03-23 EP claimed
US-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers PULLELA PHANI KUMAR (US) 2004-03-25 US claimed
WO-2003105854-A2 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS VITTAL MALLYA SCIENTIFIC RESEARCH FOUNDATION (IN) 2003-12-24 WO 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
EP-1542683-A2 CALCIUM CHANNEL BLOCKERS Diakron Pharmaceuticals, Inc. (US) 2005-06-22 EP disclosed
WO-2004024153-A2 CALCIUM CHANNEL BLOCKERS DIAKRON PHARMACEUTICALS, INC. (US) 2004-03-25 WO disclosed
US-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers PULLELA PHANI KUMAR (US) 2004-03-25 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 (2 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 1580/4885TSHR 4844/4885
US-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers ORAI1, CACNA1B, CACNA1I LMNA 4286/4885ALDH1A1 1674/4885TSHR 4764/4885

“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.