SCHEMBL30799004

SCHEMBL30799004

C#Cc1cccc2scnc12

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NAMPT P43490 1/20 0.30

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
SCHEMBL1438610 0.81 ALDH1A1 (0.41) ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL23291099 0.79 ALDH1A1 (0.39) ALDH1A1HSD17B10
SCHEMBL926998 0.74 LMNA (0.46) ALDH1A1HSD17B10NAMPT
Benzene SCHEMBL27557500 0.72 LMNA (0.44) ALDH1A1HSD17B10
Ethane SCHEMBL27342659 0.71 LMNA (0.43) ALDH1A1HSD17B10
Hydrazine SCHEMBL27534768 0.71 LMNA (0.47) ALDH1A1HSD17B10
SCHEMBL30799008 0.70 PTPN1 (0.30)
SCHEMBL27892934 0.70 NAMPT (0.39) ALDH1A1HSD17B10NAMPT
SCHEMBL288903 0.69 ALDH1A1 (0.45) ALDH1A1HSD17B10NAMPT
SCHEMBL288904 0.69 ALDH1A1 (0.46) ALDH1A1HSD17B10NAMPT

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-20240116885-A1 BENZOTHIAZOLE AND QUINOLINE DERIVATIVES AND THEIR USE SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2024-04-11 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-20240116885-A1 BENZOTHIAZOLE AND QUINOLINE DERIVATIVES AND THEIR USE PHKA1, PHKA2, CSNK1A1 ALDH1A1 1445/4885HSD17B10 1970/4885NAMPT 720/4885

“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.