SCHEMBL5114745

SCHEMBL5114745

O=C(NCc1ccccc1-c1cc2ccccc2[nH]1)c1nc(-c2cccs2)nc(O)c1O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 6/20 0.41
FEN1 P39748 6/20 0.41
ERCC4 Q92889 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
DNASE1 P24855 2/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 1/20 0.38
F3 P13726 2/20 0.38
RAB9A P51151 1/20 0.38
NTRK1 P04629 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL5120564 0.85 ERCC1 (0.44) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5129277 0.83 SMN1; SMN2 (0.46) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5254746 0.83 SMN1; SMN2 (0.45) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5122895 0.80 SMN1; SMN2 (0.47) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5252286 0.79 HPGD (0.55) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5128865 0.79 SMN1; SMN2 (0.45) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5119262 0.79 KMT2A (0.53) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5251255 0.79 HPGD (0.47) SMN1; SMN2LMNANPC1KDM4ERAB9A
SCHEMBL5114712 0.79 POLB (0.53) ERCC1FEN1ERCC4SMN1; SMN2LMNA
SCHEMBL5115087 0.79 SMN1; SMN2 (0.53) ERCC1FEN1ERCC4SMN1; SMN2LMNA

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-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US disclosed
US-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DI FRANCESCO MARIA E 2007-04-12 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-20070083045-A1 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase DUT, DPYD, TYMP ERCC1 1789/4885FEN1 582/4885ERCC4 481/4885

“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.