SCHEMBL12368142

SCHEMBL12368142

Cc1ccc(Sc2nc3c(=O)[nH]c(N)nc3[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 15/20 0.47
▸ XDH P47989 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ DHFR P00374 1/20 0.41

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
SCHEMBL12820641 0.80 MEN1 (0.57) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL12368141 0.78 TYMS (0.46) TYMSXDHKDM4EALDH1A1LMNA
SCHEMBL10007309 0.76 KDM4E (0.49) TYMSKDM4EALDH1A1LMNAGLA
SCHEMBL12393162 0.75 KDM4E (0.49) TYMSXDHKDM4EALDH1A1LMNA
SCHEMBL12320826 0.72 MAPT (0.44) TYMSXDHKDM4EALDH1A1LMNA
SCHEMBL7515343 0.71 TYMS (0.42) TYMSXDHLMNAMEN1MAPT
SCHEMBL160586 0.70 ALDH1A1 (0.53) XDHKDM4EALDH1A1LMNAGLA
SCHEMBL12820579 0.70 HTT (0.46) XDHKDM4EALDH1A1LMNAGLA
8-Aminoguanine SCHEMBL21760 0.69 KDM4E (0.60) TYMSKDM4EALDH1A1LMNAGLA
SCHEMBL29819457 0.69 KDM4E (0.51) XDHKDM4EALDH1A1LMNAGLA

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-20130210826-A1 METHODS FOR TREATING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2013-08-15 — — US disclosed
US-20110207753-A1 METHODS FOR TREATING PAIN THE GENERAL HOSPITAL CORPORATION (US) 2011-08-25 — — US disclosed
US-7906520-B2 Reducing expression of tetrahydrobiopterin (BH4) biological activity; traumatic, metabolic or toxic peripheral nerve lesions THE GENERAL HOSPITAL CORPORATION (US) 2011-03-15 — — 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 (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-20130210826-A1 METHODS FOR TREATING PAIN SPR, QDPR, SHMT1 TYMS 686/4885XDH 2496/4885KDM4E 1344/4885
US-20110207753-A1 METHODS FOR TREATING PAIN SPR, QDPR, SHMT1 TYMS 722/4885XDH 1595/4885KDM4E 2785/4885

“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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