SCHEMBL12368141

SCHEMBL12368141

Cc1ccccc1Sc1nc2c(=O)[nH]c(N)nc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMS P04818 14/20 0.46
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ XDH P47989 1/20 0.40
▸ DHFR P00374 1/20 0.38

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
SCHEMBL12393162 0.86 KDM4E (0.49) TYMSKDM4EALDH1A1LMNAGLA
SCHEMBL12368142 0.78 TYMS (0.47) TYMSKDM4EALDH1A1LMNAGLA
SCHEMBL11980432 0.76 MAP4K4 (0.42) KDM4EALDH1A1LMNA
SCHEMBL10007309 0.74 KDM4E (0.49) TYMSKDM4EALDH1A1LMNAGLA
SCHEMBL12820638 0.72 SCN9A (0.56) ALDH1A1XDH
SCHEMBL12820641 0.70 MEN1 (0.57) ALDH1A1LMNA
SCHEMBL12454385 0.69 ALDH1A1 (0.42) KDM4EALDH1A1
SCHEMBL12368170 0.69 TYMS (0.43) TYMSPABPC1XDHDHFR
SCHEMBL160586 0.68 ALDH1A1 (0.53) KDM4EALDH1A1LMNAGLAPMP22
SCHEMBL12820579 0.68 HTT (0.46) KDM4EALDH1A1LMNAGLAPMP22

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 686/4885KDM4E 1344/4885ALDH1A1 1061/4885
US-20110207753-A1 METHODS FOR TREATING PAIN SPR, QDPR, SHMT1 TYMS 722/4885KDM4E 2785/4885ALDH1A1 998/4885

“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.

Send feedback