SCHEMBL13516865

SCHEMBL13516865

NC(=O)c1[nH]nnc1[CH]Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 3/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
PAX8 Q06710 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
HPGD P15428 1/20 0.33
MAOB P27338 1/20 0.32
MAPK1 P28482 2/20 0.32
ATM Q13315 1/20 0.32
HCAR3 P49019 1/20 0.32
ADRA1D P25100 1/20 0.32
TOP1 P11387 1/20 0.32
PARP10 Q53GL7 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
PARP1 P09874 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 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
SCHEMBL4155871 0.70 PLA2G10 (0.38) PLA2G10PLA2G2APAX8MAOBADRA1D
SCHEMBL7672968 0.68 RAB9A (0.45) HPGDATMPOLBHSD17B10CDC7
SCHEMBL4210739 0.68 TAAR1 (0.39) HPGDPOLBPARP1TSHRHSD17B10
SCHEMBL4803391 0.68 BCAT2 (0.37) PLA2G10PLA2G2ACDC7
SCHEMBL295277 0.62 MAOB (0.48) PLA2G10PLA2G2AMAOBTOP1CYP2C19
SCHEMBL4152679 0.62 GPR52 (0.39) PLA2G10PLA2G2AMAPK1
SCHEMBL3479082 0.60
SCHEMBL6948797 0.59 MAOB (0.44) PLA2G10PLA2G2AMAOBADRA1DTOP1
SCHEMBL8517077 0.59 MAOB (0.44) PLA2G10PLA2G2AMAOBTOP1POLB
SCHEMBL6748586 0.59 MAOB (0.56) PLA2G10PLA2G2AMAOBTOP1CYP3A4

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
EP-2462141-B1 NOVEL AZAHETEROCYCLIC COMPOUNDS MERCK PATENT GMBH (DE) 2017-09-27 EP disclosed
US-9023847-B2 Azaheterocyclic compounds MERCK PATENT GMBH (DE) 2015-05-05 US disclosed
US-20120277228-A1 Novel Azaheterocyclic Compounds MERCK PATENT GMBH (DE) 2012-11-01 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-20120277228-A1 Novel Azaheterocyclic Compounds PCNA, MCL1, MYC HAO1 4540/4885PLA2G10 4155/4885PLA2G2A 3665/4885

“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.