SCHEMBL12986955

SCHEMBL12986955

NCc1cccc(Cc2nnn[nH]2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.39
ENPP2 Q13822 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
PRMT6 Q96LA8 1/20 0.37
NOS1 P29475 4/20 0.36
NOS2 P35228 4/20 0.36
NOS3 P29474 3/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
TLR8 Q9NR97 3/20 0.35
NCF1 P14598 1/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
PIM1 P11309 1/20 0.33
CDK8 P49336 1/20 0.33
KIF11 P52732 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL19580445 0.86 AKT2 (0.39) LOXL2ROCK1
SCHEMBL10965025 0.83 TSHR (0.34)
SCHEMBL3044331 0.83 MAOB (0.42) SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL9573531 0.82 MAOB (0.43) SMN1; SMN2CYP3A4
SCHEMBL9911071 0.81 DAO (0.43) ALDH1A1CDK8
SCHEMBL12017483 0.81 PARP1 (0.44) PRMT6NOS1NOS2NOS3CYP3A4
SCHEMBL31422574 0.81 DAO (0.31)
SCHEMBL31422502 0.80 HCAR2 (0.44) SMN1; SMN2
SCHEMBL232998 0.78 NR1H2 (0.46) ALDH1A1
SCHEMBL12017406 0.78 PARP1 (0.34)

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-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2023-11-30 US disclosed
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S R L (IT) 2021-12-09 US disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 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 (2 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-20230381177-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 PNMT 363/4885ENPP2 1141/4885LOXL2 1982/4885
US-20210379069-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 PNMT 363/4885ENPP2 1141/4885LOXL2 1982/4885

“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.