SCHEMBL13799596

SCHEMBL13799596

CCOC(=O)C(C)c1ccc2nc(C)sc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
LDHA P00338 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
RXFP1 Q9HBX9 2/20 0.45
CYP2C9 P11712 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
PTPN1 P18031 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
SCHEMBL4132096 0.87 RAB9A (0.59) SMN1; SMN2ALDH1A1KMT2AMAPTKDM4E
SCHEMBL13799598 0.83 LDHA (0.51) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL4294190 0.83 RAB9A (0.66) SMN1; SMN2ALDH1A1KMT2AMEN1RAB9A
SCHEMBL4148882 0.81 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL19926302 0.81 LDHA (0.52) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL12600109 0.81 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL4137342 0.78 LCK (0.55) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL19986341 0.77 LDHA (0.52) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL19275145 0.77 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1
SCHEMBL8031624 0.77 LDHA (0.51) SMN1; SMN2ALDH1A1KMT2AMAPTMEN1

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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2009-06-18 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-20090156590-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process for Making Them, and Use Thereof for Treating Pain and Other Conditions TRPV1, OPRL1, TRPV2 SMN1; SMN2 3235/4885ALDH1A1 1590/4885KMT2A 4539/4885

“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.