SCHEMBL14907962

SCHEMBL14907962

COc1cc([N+](=O)[O-])cc(-c2nnc(SCC(=O)O)[nH]2)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 8/20 0.67
ERN1 O75460 1/20 0.44
KDM4E B2RXH2 4/20 0.40
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
SENP1 Q9P0U3 1/20 0.36
AMY1A P0DUB6 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL16171102 0.92 GRK6 (0.56) GRK6KDM4EALDH1A1EGFRERBB2
SCHEMBL18552409 0.91 GRK6 (0.55) GRK6KDM4EALDH1A1EGFRERBB2
SCHEMBL14907894 0.86 GRK6 (0.56) GRK6MAPTALDH1A1LMNAMEN1
SCHEMBL14907809 0.82 GRK6 (0.48) GRK6KDM4EMAPTALDH1A1MEN1
SCHEMBL14907778 0.81 GRK6 (0.67) GRK6ALDH1A1MEN1KMT2AAMY1A
SCHEMBL21764002 0.81 GRK6 (0.44) GRK6KDM4EALDH1A1POLBEGFR
SCHEMBL14907743 0.81 GRK6 (0.44) GRK6KDM4EALDH1A1EGFRERBB2
SCHEMBL16171076 0.80 GRK6 (0.55) GRK6KDM4EALDH1A1MEN1KMT2A
SCHEMBL14907829 0.79 GRK6 (0.64) GRK6KDM4EMAPTALDH1A1MEN1
SCHEMBL16171075 0.79 GRK6 (0.46) GRK6MAPTALDH1A1LMNAMEN1

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 1/4885ERN1 1831/4885KDM4E 4539/4885

“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.