SCHEMBL4772689

SCHEMBL4772689

C=CC(=O)NCc1c(-c2ccccc2)nc2ccccc2c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.53
LMNA P02545 4/20 0.53
PDE10A Q9Y233 4/20 0.53
TSHR P16473 1/20 0.52
POLB P06746 1/20 0.51
CYP2D6 P10635 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 1/20 0.48
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TACR3 P29371 4/20 0.44
TACR2 P21452 1/20 0.44

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
SCHEMBL4776786 0.82 DHODH (0.53) DHODHLMNAPDE10ATSHRPOLB
SCHEMBL4234917 0.80 DHODH (0.60) DHODHLMNAPDE10ATSHRPOLB
SCHEMBL3587309 0.76 PDE10A (0.57) DHODHLMNAPDE10ATSHRPOLB
SCHEMBL4245187 0.76 DHODH (0.65) DHODHLMNAPDE10ATSHRPOLB
SCHEMBL14492079 0.76 PDE10A (0.68) DHODHLMNAPDE10ATSHRPOLB
SCHEMBL8267472 0.76 LMNA (0.82) DHODHLMNAPDE10ATSHRPOLB
SCHEMBL6957665 0.76 DHODH (0.65) DHODHLMNAPDE10ATSHRPOLB
SCHEMBL1581252 0.76 DHODH (0.65) DHODHLMNAPDE10ATSHRPOLB
SCHEMBL3580968 0.75 PDE10A (0.56) DHODHLMNAPDE10ATSHRPOLB
SCHEMBL4772693 0.74 DHODH (0.56) DHODHLMNAPDE10ATSHRPOLB

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-20080234269-A1 N-Oxo-Heterocycle and N-Oxo-Alkyl Quinoline-4-Carboxamides as Nk-3 Receptor Ligands ASTRAZENECA AB (SE) 2008-09-25 US disclosed
EP-1940795-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS AstraZeneca AB (SE) 2008-07-09 EP disclosed
WO-2007035156-A1 N-OXO-HETEROCYCLE AND N-OXO-ALKYL QUINOLINE-4-CARBOXAMIDES AS NK-3 RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-03-29 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 (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-20080234269-A1 N-Oxo-Heterocycle and N-Oxo-Alkyl Quinoline-4-Carboxamides as Nk-3 Receptor Ligands TACR3, TACR2, KCNA3 DHODH 2182/4885LMNA 2876/4885PDE10A 2428/4885

“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.