SCHEMBL18540488

SCHEMBL18540488

CC(=O)CSc1nnc(-c2cc(-c3ccc4cn[nH]c4c3)cc([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
NOS1 P29475 2/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
FGFR1 P11362 6/20 0.37
FGFR2 P21802 4/20 0.37
FGFR3 P22607 2/20 0.37
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
POLB P06746 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MITF O75030 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL18540637 0.92 MAPT (0.44) MAPTNOS1LMNACYP3A4ALOX15
SCHEMBL18540585 0.86 MAPT (0.37) MAPTLMNAPLA2G1BATG4BALDH1A1
SCHEMBL17212988 0.84 MAPT (0.44) MAPTNOS1LMNACYP3A4ALOX15
SCHEMBL18540491 0.84 MAPT (0.39) MAPTLMNAPLA2G1BATG4BALDH1A1
SCHEMBL18540476 0.82 ATM (0.36) MAPTLMNAPLA2G1BATG4BPOLB
SCHEMBL21764015 0.81 FGFR1 (0.38) FGFR1FGFR2FGFR3ARGRK6
SCHEMBL18540474 0.80 MAPT (0.38) MAPTLMNAPLA2G1BATG4BALDH1A1
SCHEMBL18540482 0.80 MEN1 (0.40) MAPTLMNAALOX15PLA2G1BATG4B
SCHEMBL18540484 0.80 AR (0.35) MAPTPLA2G1BATG4BALDH1A1MITF
SCHEMBL18552403 0.80 FGFR1 (0.42) MAPTLMNAFGFR1FGFR2FGFR3

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 4031/4885NOS1 3165/4885LMNA 4606/4885

“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.