SCHEMBL18540482

SCHEMBL18540482

CC(=O)CSc1nnc(-c2cc(-c3ccc4c(c3)cc(C)n4C)cc([N+](=O)[O-])c2)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 8/20 0.38
ALDH1A1 P00352 6/20 0.38
HPGD P15428 4/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL18540633 0.93 MEN1 (0.40) MEN1KMT2ARXFP1MAPTALDH1A1
SCHEMBL18540479 0.88 CYP19A1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL18540469 0.87 PRKAG1 (0.36) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL18540484 0.86 AR (0.35) MAPTALDH1A1HPGDPLA2G1BATG4B
SCHEMBL17213155 0.85 MEN1 (0.36) MEN1KMT2ARXFP1MAPTALDH1A1
SCHEMBL18540491 0.84 MAPT (0.39) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL18540468 0.84 SERPINE1 (0.34) MEN1KMT2AMAPTALDH1A1PLA2G1B
SCHEMBL18540478 0.83 MAPT (0.34) MEN1KMT2AMAPTALDH1A1PLA2G1B
SCHEMBL18540472 0.83 MAPT (0.34) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL18540579 0.82 MAPT (0.35) MEN1KMT2AMAPTALDH1A1HPGD

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 MEN1 2245/4885KMT2A 2762/4885RXFP1 941/4885

“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.