SCHEMBL18540467

SCHEMBL18540467

CC(=O)CSc1nnc(-c2cc(-c3ccc4scnc4c3)cc([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.37
MAPT P10636 7/20 0.35
ALDH1A1 P00352 5/20 0.35
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
RIPK2 O43353 3/20 0.33
LCK P06239 3/20 0.33
KDR P35968 3/20 0.33
TGFBR1 P36897 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MITF O75030 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
NPBWR1 P48145 1/20 0.32
HTT P42858 5/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
GAA P10253 1/20 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
SCHEMBL17212989 0.92 FFAR1 (0.39) FFAR1MAPTALDH1A1PLA2G1BATG4B
SCHEMBL18540474 0.85 MAPT (0.38) MAPTALDH1A1PLA2G1BATG4BCYP1A2
SCHEMBL18540579 0.81 MAPT (0.35) MAPTALDH1A1PLA2G1BATG4BCYP1A2
SCHEMBL18540470 0.80 KMT2A (0.45) MAPTALDH1A1PLA2G1BATG4BNPBWR1
SCHEMBL18540491 0.80 MAPT (0.39) MAPTALDH1A1PLA2G1BATG4BCYP1A2
SCHEMBL18540471 0.78 SMN1; SMN2 (0.48) MAPTALDH1A1KMT2AGAALMNA
SCHEMBL18540585 0.78 MAPT (0.37) MAPTALDH1A1PLA2G1BATG4BCYP1A2
SCHEMBL18540476 0.78 ATM (0.36) MAPTALDH1A1PLA2G1BATG4BKMT2A
SCHEMBL18540488 0.78 MAPT (0.43) MAPTALDH1A1PLA2G1BATG4BMITF
SCHEMBL18540469 0.77 PRKAG1 (0.36) MAPTALDH1A1PLA2G1BATG4BCYP1A2

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 FFAR1 881/4885MAPT 4031/4885ALDH1A1 4745/4885

“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.