SCHEMBL18540562

SCHEMBL18540562

COc1cccc(O)c1-c1nnc(SCC(C)=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GCGR P47871 1/20 0.38
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
CASP1 P29466 2/20 0.36
EGFR P00533 1/20 0.36
PIM1 P11309 1/20 0.36
MPO P05164 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 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
SCHEMBL18540578 0.93 TSHR (0.39) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL14907861 0.91 GRK6 (0.42) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL18552391 0.83 MEN1 (0.39) KMT2AMEN1MAPTHPGDSMN1; SMN2
SCHEMBL14907857 0.83 ALDH1A1 (0.44) KMT2AHSD17B10TSHRCASP1MPO
SCHEMBL18540600 0.81 SMN1; SMN2 (0.36) MAPTHPGDSMN1; SMN2GCGRTSHR
SCHEMBL18540542 0.79 GRK6 (0.52) KMT2AMEN1MAPTHPGDGCGR
SCHEMBL18540567 0.77 KDM4E (0.34) KMT2AMAPTHPGDSMN1; SMN2GCGR
SCHEMBL18540537 0.77 GRK6 (0.49) LMNA
SCHEMBL18540545 0.75 GRK6 (0.53) MAPTSMN1; SMN2GCGRALDH1A1LMNA
SCHEMBL21763967 0.75 RECQL (0.38) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1

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-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 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-20170050939-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES GRK6, GRK2, GRK3 KMT2A 2762/4885MEN1 2245/4885MAPT 4031/4885

“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.