SCHEMBL18540468

SCHEMBL18540468

CCCn1ccc2cc(-c3cc(-c4nnc(SCC(C)=O)[nH]4)cc([N+](=O)[O-])c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 3/20 0.34
MAPT P10636 6/20 0.33
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPBWR1 P48145 1/20 0.32
PPARG P37231 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM1A O60341 1/20 0.31
GRK6 P43250 1/20 0.30

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
SCHEMBL17213141 0.93 TYMP (0.38) SERPINE1MAPTPLA2G1BATG4BCYP2C19
SCHEMBL18540478 0.93 MAPT (0.34) SERPINE1MAPTPLA2G1BATG4BALDH1A1
SCHEMBL18540469 0.90 PRKAG1 (0.36) MAPTPLA2G1BATG4BALDH1A1NPBWR1
SCHEMBL17213068 0.86 TYMP (0.39) SERPINE1MAPTPLA2G1BATG4BALDH1A1
SCHEMBL18540484 0.84 AR (0.35) MAPTPLA2G1BATG4BALDH1A1CYP1A2
SCHEMBL18540482 0.84 MEN1 (0.40) MAPTPLA2G1BATG4BALDH1A1MEN1
SCHEMBL17212979 0.83 TYMP (0.40) MAPTPLA2G1BATG4BALDH1A1CYP2C19
SCHEMBL18540479 0.81 CYP19A1 (0.48) MAPTPLA2G1BATG4BALDH1A1MEN1
SCHEMBL18540491 0.81 MAPT (0.39) MAPTPLA2G1BATG4BALDH1A1NPBWR1
SCHEMBL18540480 0.80 MAPT (0.33) MAPTPLA2G1BATG4BALDH1A1MEN1

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 SERPINE1 1855/4885MAPT 4031/4885PLA2G1B 1194/4885

“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.