SCHEMBL489343

SCHEMBL489343

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
ALDH1A1 P00352 3/20 0.46
POLB P06746 4/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 1/20 0.41
ADORA2B P29275 2/20 0.41
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 1/20 0.40
APEX1 P27695 1/20 0.40
ESR2 Q92731 1/20 0.40
L3MBTL1 Q9Y468 1/20 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
SCHEMBL489098 0.95 LMNA (0.46) LMNAALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL489634 0.95 LMNA (0.52) LMNAALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL489545 0.91 LMNA (0.47) LMNAALDH1A1POLBTSHRMAPT
SCHEMBL490056 0.77 LMNA (0.50) LMNAALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL489768 0.72 TDP1 (0.36) LMNAALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL489694 0.71 LMNA (0.47) LMNAALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL4866791 0.71 LMNA (0.54) LMNAALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL489806 0.69 LMNA (0.49) LMNAALDH1A1POLBTSHRMAPT
SCHEMBL10112948 0.69 MEN1 (0.74) LMNAALDH1A1POLBTSHRSMN1; SMN2
SCHEMBL10279641 0.69 SMN1; SMN2 (0.58) LMNAALDH1A1POLBTSHRSMN1; 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 2 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

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 1580/4885POLB 3554/4885

“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.