SCHEMBL18540491

SCHEMBL18540491

CC(=O)CSc1nnc(-c2cc(-c3ccc4cc(C)ccc4c3)cc([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.39
MEN1 O00255 9/20 0.39
KMT2A Q03164 9/20 0.39
ALDH1A1 P00352 9/20 0.38
HTT P42858 5/20 0.38
LMNA P02545 5/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 3/20 0.38
MMP13 P45452 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL18540634 0.92 TYMP (0.42) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL18540585 0.85 MAPT (0.37) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL18540482 0.84 MEN1 (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL18540488 0.84 MAPT (0.43) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL17213103 0.83 ALDH1A1 (0.39) MEN1KMT2AALDH1A1HPGD
SCHEMBL18540470 0.83 KMT2A (0.45) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL18540469 0.83 PRKAG1 (0.36) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL18540474 0.83 MAPT (0.38) MAPTMEN1KMT2AALDH1A1HTT
SCHEMBL18540484 0.83 AR (0.35) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18540480 0.83 MAPT (0.33) MAPTMEN1KMT2AALDH1A1HTT

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 4031/4885MEN1 2245/4885KMT2A 2762/4885

“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.