SCHEMBL18539895

SCHEMBL18539895

CC(=O)CSc1nnc(-c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GRK6 P43250 3/20 0.46
RECQL P46063 2/20 0.41
LMNA P02545 2/20 0.41
MCL1 Q07820 1/20 0.41
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX12 P18054 1/20 0.37
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.34
CES2 O00748 1/20 0.34

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
SCHEMBL18540012 0.92 GRK6 (0.55) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17779957 0.85 CYP1A2 (0.47) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL18539855 0.84 KDM4E (0.46) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL18539848 0.82 KDM4E (0.36) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14907940 0.80 GRK6 (0.65) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL18539899 0.79 MEN1 (0.40) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL18540594 0.78 GRK6 (0.52) MAPTALDH1A1SMN1; SMN2GRK6MAPK1
SCHEMBL17214914 0.78 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2GRK6LMNA
SCHEMBL18539856 0.78 MITF (0.36) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL18539904 0.78 POLB (0.44) MAPTMEN1KMT2AALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902739-B2 Small molecule inhibitors of G protein coupled receptor 6 kinases polypeptides MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2018-02-27 US disclosed
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES 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-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES GRK6, GRK2, GRK3 MAPT 4029/4885MEN1 2275/4885KMT2A 2569/4885

“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.