SCHEMBL12354893

SCHEMBL12354893

CSc1nc(NC(=O)CS)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 10/20 0.39
▸ ADORA2A P29274 9/20 0.39
▸ ADORA1 P30542 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CYP2C19 P33261 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL7923569 0.75 ADORA3 (0.40) ADORA3ADORA2AADORA1KDM4EALPL
SCHEMBL14401184 0.70 — —
SCHEMBL4784090 0.68 HPGD (0.48) KDM4ELMNAL3MBTL1HSD17B10
SCHEMBL10336585 0.68 MAPT (0.49) ADORA3ADORA2AADORA1KDM4EALPL
SCHEMBL16922750 0.66 GAA (0.38) KDM4ELMNAALDH1A1
SCHEMBL9595465 0.65 PTPN1 (0.33) ADORA3ALDH1A1
SCHEMBL14513749 0.61 MAPT (0.52) LMNAL3MBTL1CYP2C19ALDH1A1HSD17B10
SCHEMBL17727039 0.61 — —
SCHEMBL7923981 0.61 CYP1A2 (0.64) KDM4EALDH1A1
SCHEMBL7931736 0.61 MAPT (0.38) ADORA3ADORA1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 — — US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 — — US disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 — — WO 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 ADORA3 4034/4885ADORA2A 3899/4885ADORA1 4190/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 ADORA3 502/4885ADORA2A 841/4885ADORA1 901/4885

“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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