SCHEMBL14907809

SCHEMBL14907809

COc1cc(-c2nnc(SCC(=O)O)[nH]2)c([N+](=O)[O-])cc1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 10/20 0.48
ALDH1A1 P00352 6/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
PRKDC P78527 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL18540574 0.91 ALDH1A1 (0.39) GRK6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14907807 0.85 GRK6 (0.49) GRK6ALDH1A1KDM4E
SCHEMBL14907891 0.83 GRK6 (0.67) GRK6ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14907894 0.83 GRK6 (0.56) GRK6ALDH1A1MEN1KMT2AMAPT
SCHEMBL14907795 0.82 GRK6 (0.62) GRK6ALDH1A1KDM4E
SCHEMBL14907962 0.82 GRK6 (0.67) GRK6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14907778 0.82 GRK6 (0.67) GRK6ALDH1A1MEN1KMT2A
SCHEMBL17213023 0.79 POLB (0.39) GRK6ALDH1A1MEN1KMT2AKDM4E
SCHEMBL14907723 0.78 GRK6 (0.67) GRK6MAPT
SCHEMBL16171076 0.78 GRK6 (0.55) GRK6ALDH1A1MEN1KMT2AKDM4E

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 3 patents. 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
WO-2015164415-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 WO disclosed
WO-2013063458-A2 INHIBITING G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-05-02 WO 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 GRK6 1/4885ALDH1A1 4745/4885MEN1 2245/4885

“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.