SCHEMBL18540470

SCHEMBL18540470

CC(=O)CSc1nnc(-c2cc(-c3ccc4ncccc4c3)cc([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 7/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MCL1 Q07820 1/20 0.36
MAT2A P31153 1/20 0.36
DYRK1A Q13627 1/20 0.35
NPBWR1 P48145 1/20 0.35
MET P08581 1/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL17213117 0.92 GRK6 (0.42) KMT2AALDH1A1LMNAHPGDKDM4E
SCHEMBL18540474 0.89 MAPT (0.38) KMT2AALDH1A1LMNAHPGDMAPT
SCHEMBL18540510 0.87 KMT2A (0.53) KMT2AALDH1A1KDM4EMAPTNPC1
SCHEMBL18540491 0.83 MAPT (0.39) KMT2AALDH1A1LMNAHPGDMAPT
SCHEMBL18540494 0.81 MEN1 (0.36) KMT2AALDH1A1LMNAHPGDMAPT
SCHEMBL17213075 0.81 TYMP (0.41) KMT2AALDH1A1MAPTPLA2G1BATG4B
SCHEMBL18540469 0.80 PRKAG1 (0.36) KMT2AALDH1A1LMNAHPGDMAPT
SCHEMBL18540467 0.80 FFAR1 (0.37) KMT2AALDH1A1LMNAMAPTPLA2G1B
SCHEMBL18540585 0.80 MAPT (0.37) KMT2AALDH1A1LMNAMAPTPLA2G1B
SCHEMBL18540482 0.80 MEN1 (0.40) KMT2AALDH1A1LMNAHPGDKDM4E

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 KMT2A 2762/4885ALDH1A1 4745/4885LMNA 4606/4885

“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.