SCHEMBL4772693

SCHEMBL4772693

C=CC[N+](=O)Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.56
PDE10A Q9Y233 4/20 0.56
LMNA P02545 4/20 0.52
TSHR P16473 1/20 0.51
POLB P06746 1/20 0.50
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
TACR3 P29371 4/20 0.41
TACR2 P21452 3/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TACR1 P25103 1/20 0.40
OPRM1 P35372 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL4234917 0.82 DHODH (0.60) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4776786 0.77 DHODH (0.53) DHODHPDE10ALMNATSHRPOLB
SCHEMBL1581252 0.74 DHODH (0.65) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4245187 0.74 DHODH (0.65) DHODHPDE10ALMNATSHRPOLB
SCHEMBL14492079 0.74 PDE10A (0.68) DHODHPDE10ALMNATSHRPOLB
SCHEMBL8267472 0.74 LMNA (0.82) DHODHPDE10ALMNATSHRPOLB
SCHEMBL6957665 0.74 DHODH (0.65) DHODHPDE10ALMNATSHRPOLB
SCHEMBL4772689 0.74 DHODH (0.53) DHODHPDE10ALMNATSHRPOLB
SCHEMBL1581143 0.73 TACR3 (0.65) DHODHPDE10ALMNATSHRPOLB
SCHEMBL1581832 0.72 CYP2D6 (0.64) DHODHPDE10ALMNATSHRPOLB

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 2182/4885PDE10A 2428/4885LMNA 2876/4885

“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.