SCHEMBL12368170

SCHEMBL12368170

Cc1ccccc1SC1=Nc2c(nc(N)[nH]c2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 13/20 0.43
▸ QTRT1 Q9BXR0 1/20 0.38
▸ XDH P47989 1/20 0.38
▸ DHFR P00374 1/20 0.38
▸ PABPC1 P11940 1/20 0.37

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
SCHEMBL12368141 0.69 TYMS (0.46) TYMSXDHDHFRPABPC1
SCHEMBL2003431 0.61 TYMS (0.76) TYMS
SCHEMBL6649272 0.60 TYMS (1.00) TYMS
SCHEMBL576094 0.59 ACHE (0.53) —
SCHEMBL4313736 0.59 PARP1 (0.70) TYMSQTRT1
SCHEMBL6648263 0.58 TYMS (1.00) TYMS
SCHEMBL12620146 0.58 TYMS (0.60) TYMS
SCHEMBL28413615 0.58 ATAD2 (0.48) —
SCHEMBL15906499 0.57 HTR1A (0.50) —
Hydrogen Sulfide SCHEMBL11580912 0.57 HTR1A (0.50) —

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-20110207753-A1 METHODS FOR TREATING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2011-08-25 — — 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-20110207753-A1 METHODS FOR TREATING PAIN SPR, QDPR, SHMT1 TYMS 722/4885QTRT1 64/4885XDH 1595/4885

“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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