SCHEMBL18540480

SCHEMBL18540480

CC(=O)CSc1nnc(-c2cc(-c3cc(C)c4c(ccn4C)c3)cc([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 7/20 0.33
ALDH1A1 P00352 7/20 0.33
MEN1 O00255 6/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 3/20 0.32
GRK6 P43250 2/20 0.32
POLB P06746 1/20 0.32
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MITF O75030 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
GAA P10253 2/20 0.31

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
SCHEMBL17213154 0.93 GRK6 (0.39) MAPTPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL18540469 0.87 PRKAG1 (0.36) MAPTPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL18540491 0.83 MAPT (0.39) MAPTPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL18552240 0.82 ALDH1A1 (0.36) THRBKMT2AALDH1A1LMNAGRK6
SCHEMBL18540482 0.81 MEN1 (0.40) MAPTPLA2G1BATG4BTHRBKMT2A
SCHEMBL18540468 0.80 SERPINE1 (0.34) MAPTPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL18540472 0.80 MAPT (0.34) MAPTPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL18540478 0.80 MAPT (0.34) MAPTPLA2G1BATG4BKMT2AALDH1A1
SCHEMBL17212979 0.80 TYMP (0.40) MAPTPLA2G1BATG4BALDH1A1CYP2C19
SCHEMBL18540484 0.79 AR (0.35) MAPTPLA2G1BATG4BALDH1A1CYP1A2

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 MAPT 4031/4885PLA2G1B 1194/4885ATG4B 4235/4885

“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.