SCHEMBL18540472

SCHEMBL18540472

CC(=O)CSc1nnc(-c2cc(-c3ccc4c(c3)c(C)cn4C)cc([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
CDK2 P24941 1/20 0.31
MITF O75030 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL18540629 0.93 GRK6 (0.37) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL17213153 0.85 KDM4E (0.35) ALDH1A1CYP2C19KDM4EGRK6
SCHEMBL18540469 0.84 PRKAG1 (0.36) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL18540482 0.83 MEN1 (0.40) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL18540579 0.83 MAPT (0.35) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL18552307 0.82 KDM4E (0.38) ALDH1A1KMT2AMEN1KDM4EGRK6
SCHEMBL18540484 0.82 AR (0.35) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18540491 0.80 MAPT (0.39) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL18540480 0.80 MAPT (0.33) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL18540468 0.80 SERPINE1 (0.34) MAPTALDH1A1KMT2AMEN1HTT

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 4031/4885LMNA 4606/4885ALDH1A1 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.