SCHEMBL660327

SCHEMBL660327

Cc1ccc(N2C(=O)NC(=O)C23CCNCC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.43
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
HTR7 P34969 1/20 0.37
F2 P00734 1/20 0.36
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
CTRC Q99895 1/20 0.36

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
SCHEMBL201840 0.85 POLB (0.51) POLBMAPTALDH1A1MAPK1F2
SCHEMBL8808180 0.84 HSD17B10 (0.41) HSD17B10POLBMAPTALDH1A1HTR7
SCHEMBL8811652 0.83 HSD17B10 (0.58) ADRB1HSD17B10ALDH1A1MAPK1OPRM1
SCHEMBL659504 0.83 BDKRB2 (0.46) POLBMAPTALDH1A1MAPK1ALOX5
Hydrochloric Acid SCHEMBL8809755 0.83 HSD17B10 (0.40) HSD17B10MAPTALDH1A1HTR7OPRM1
SCHEMBL659257 0.78 GAA (0.42) HSD17B10POLBGABRDGABRA1GABRB1
SCHEMBL5556794 0.75 HSD17B10 (0.73) HSD17B10OPRM1
SCHEMBL660567 0.74 MCHR1 (0.57) POLBMAPTALDH1A1HTR7HTT
SCHEMBL17149531 0.74 HSD17B10 (0.36) HSD17B10MAPTALDH1A1MAPK1MCHR1
SCHEMBL17082985 0.73 AR (0.44) POLBMAPTALDH1A1F2ELANE

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-20120045500-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-02-23 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-20120045500-A1 NOVEL DIOXO-IMIDAZOLIDINE DERIVATIVES, WHICH INHIBIT THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM SOAT1, SOAT2, ODC1 ADRB1 1925/4885HSD17B10 222/4885POLB 882/4885

“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.