SCHEMBL18540504

SCHEMBL18540504

CC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.51
MAPT P10636 12/20 0.45
ALDH1A1 P00352 8/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MMP13 P45452 2/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
LMNA P02545 2/20 0.43
GUSB P08236 1/20 0.42
GAA P10253 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42

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
SCHEMBL14907941 0.89 GRK6 (0.64) GRK6MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL16171163 0.82 GRK6 (0.48) GRK6MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL16171157 0.81 GRK6 (0.50) GRK6ALDH1A1KMT2AKDM4E
SCHEMBL18540514 0.81 GRK6 (0.47) GRK6MAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL18540519 0.81 GRK6 (0.51) GRK6MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL18540594 0.81 GRK6 (0.52) GRK6MAPTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL18540569 0.80 NPC1 (0.45) GRK6ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL18540548 0.79 GRK6 (0.33) GRK6ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL18540501 0.79 CYP1A2 (0.37) GRK6MAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL18540518 0.79 GRK6 (0.51) GRK6MAPTALDH1A1SMN1; SMN2RAB9A

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 GRK6 1/4885MAPT 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.