SCHEMBL14907941

SCHEMBL14907941

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.64
GUSB P08236 1/20 0.46
MAPT P10636 8/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TYMP P19971 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL18540504 0.89 GRK6 (0.51) GRK6GUSBMAPTSMN1; SMN2MEN1
SCHEMBL16171157 0.89 GRK6 (0.50) GRK6KMT2AALDH1A1KDM4ETYMP
SCHEMBL17214800 0.88 GRK6 (0.53) GRK6MAPTSMN1; SMN2MEN1RAB9A
SCHEMBL17213121 0.86 GRK6 (0.48) GRK6MAPTMEN1RAB9AKMT2A
SCHEMBL6405125 0.85 TYMP (0.60) GRK6GUSBMAPTRAB9AHTT
SCHEMBL17213032 0.83 GRK6 (0.44) GRK6MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL17213015 0.83 GRK6 (0.46) GRK6MAPTMEN1KMT2AALDH1A1
SCHEMBL17213118 0.82 TYMP (0.44) GRK6MAPTALDH1A1TYMP
SCHEMBL17213145 0.82 GRK6 (0.49) GRK6MAPTMEN1KMT2AL3MBTL1
SCHEMBL17212982 0.82 GRK6 (0.47) GRK6MAPTSMN1; SMN2RAB9AALDH1A1

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 3 patents. 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
WO-2015164415-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 WO disclosed
WO-2013063458-A2 INHIBITING G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-05-02 WO 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 1/4885GUSB 3302/4885MAPT 4031/4885

“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.