SCHEMBL4130012

SCHEMBL4130012

CCc1c([Se]c2ccccc2)[nH]c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.41
NR3C1 P04150 2/20 0.39
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
RPA1 P27694 1/20 0.34
DHODH Q02127 1/20 0.34
CA12 O43570 1/20 0.33
PARP1 P09874 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL9597919 0.78 TYMP (0.38) TYMPALDH1A1KDM4EPOLBHSD17B10
SCHEMBL5197218 0.69 TYMP (0.57) TYMPNR3C1ALDH1A1KDM4E
SCHEMBL6300080 0.69 DHFR (0.48) TYMPNR3C1ALDH1A1KDM4EPOLB
SCHEMBL28414535 0.68 ALDH1A1 (0.38) TYMPALDH1A1KDM4EPOLBHSD17B10
SCHEMBL7258524 0.67 PDE3B (0.49) TYMPNR3C1ALDH1A1KDM4EPOLB
SCHEMBL8426912 0.66 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBHTTMEN1
SCHEMBL1443402 0.65 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBHSD17B10MEN1
SCHEMBL28412209 0.65 TYMP (0.51) TYMPALDH1A1KDM4EHSD17B10CA12
SCHEMBL11278926 0.63 KDM4E (0.39) ALDH1A1KDM4EPOLBHSD17B10HTT
SCHEMBL14423060 0.63 TYMP (0.47) TYMPALDH1A1KDM4EHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222257-B2 Phosphono-pent-2-en-1-yl nucleosides and analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-17 US disclosed
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-27 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-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs PNP, TYMP, ENPP1 TYMP 2/4885NR3C1 470/4885ALDH1A1 2874/4885

“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.