SCHEMBL17213154

SCHEMBL17213154

Cc1cc(-c2cc(-c3nnc(SCC(=O)O)[nH]3)cc([N+](=O)[O-])c2)cc2ccn(C)c12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 9/20 0.39
TYMP P19971 1/20 0.37
CYP2C19 P33261 1/20 0.36
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL18540480 0.93 MAPT (0.33) GRK6CYP2C19MAPTALDH1A1PLA2G1B
SCHEMBL18552240 0.89 ALDH1A1 (0.36) GRK6TYMPALDH1A1TDP1KMT2A
SCHEMBL17212979 0.87 TYMP (0.40) GRK6TYMPCYP2C19MAPTALDH1A1
SCHEMBL17213041 0.85 ALDH1A1 (0.34) GRK6TYMPALDH1A1TDP1
SCHEMBL18540634 0.83 TYMP (0.42) GRK6TYMPCYP2C19MAPTALDH1A1
SCHEMBL18540633 0.81 MEN1 (0.40) GRK6TYMPCYP2C19MAPTALDH1A1
SCHEMBL17213141 0.80 TYMP (0.38) GRK6TYMPCYP2C19MAPTPLA2G1B
SCHEMBL17213068 0.80 TYMP (0.39) GRK6TYMPMAPTALDH1A1PLA2G1B
SCHEMBL18540629 0.80 GRK6 (0.37) GRK6TYMPCYP2C19MAPTALDH1A1
SCHEMBL17213136 0.80 GRK6 (0.40) GRK6TYMPCYP2C19MAPTALDH1A1

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-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

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 1/4885TYMP 3730/4885CYP2C19 4864/4885

“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.