SCHEMBL18033549

SCHEMBL18033549

Cc1ncn(CO)c(=O)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 2/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ EP300 Q09472 3/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ FDPS P14324 1/20 0.31

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
SCHEMBL18033547 0.82 ALDH1A1 (0.38) LMNAADORA2BUSP2ALDH1A1MAPK1
SCHEMBL14580329 0.74 — —
SCHEMBL11732487 0.67 — —
SCHEMBL9810639 0.66 — —
SCHEMBL27707200 0.65 EP300 (0.42) HSD17B10EP300
SCHEMBL2618032 0.65 ALDH1A1 (0.38) LMNAALDH1A1
SCHEMBL10529956 0.61 — —
SCHEMBL13791725 0.61 — —
SCHEMBL18934389 0.60 DNMT1 (0.38) LMNAEP300ALDH1A1HTT
SCHEMBL1105207 0.60 EP300 (0.38) LMNAEP300ALDH1A1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 — — 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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H HSD17B10 1249/4885LMNA 1885/4885ADORA2B 2097/4885

“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.

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