SCHEMBL4246691

SCHEMBL4246691

NC(=O)c1ccc(Oc2nc3ccc(Cl)cc3s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
CHEK2 O96017 6/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
THRB P10828 1/20 0.47
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 2/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
PARP4 Q9UKK3 1/20 0.45
DYRK1A Q13627 2/20 0.44
FSCN1 Q16658 1/20 0.44
CTSD P07339 1/20 0.43

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
SCHEMBL18580753 0.88 SMN1; SMN2 (0.67) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL18580701 0.85 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL20481440 0.84 CA2 (0.49) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21471354 0.83 SMN1; SMN2 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8684173 0.82 PPARA (0.45) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8686061 0.82 PPARA (0.45) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4246697 0.82 APP (0.56) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17057706 0.80 CSNK1D (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL12667940 0.80 TDP1 (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL18612365 0.80 AURKB (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19

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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 SMN1; SMN2 4143/4885CYP1A2 3442/4885CYP3A4 3053/4885

“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.