SCHEMBL117357

SCHEMBL117357

O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 9/20 0.71
KDM4E B2RXH2 2/20 0.70
LMNA P02545 2/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
PDE10A Q9Y233 1/20 0.70
POLB P06746 2/20 0.68
MAPT P10636 2/20 0.65
NPSR1 Q6W5P4 2/20 0.65
MEN1 O00255 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
KMT2A Q03164 1/20 0.65
AKR1C3 P42330 1/20 0.64
AKR1C2 P52895 1/20 0.64
AKR1C1 Q04828 1/20 0.64
NPC1 O15118 1/20 0.61
ALDH1A1 P00352 1/20 0.61
HPGD P15428 1/20 0.61

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
SCHEMBL4601236 0.88 DHODH (0.66) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL29788462 0.85 DHODH (0.80) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL2291034 0.85 DHODH (0.80) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL29536364 0.83 DHODH (1.00) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL2467110 0.83 DHODH (1.00) DHODHKDM4ELMNASMN1; SMN2PDE10A
Cinchophen SCHEMBL7588217 0.83 KDM4E (1.00) DHODHKDM4ELMNASMN1; SMN2PDE10A
Cinchophen SCHEMBL29376617 0.83 KDM4E (1.00) DHODHKDM4ELMNASMN1; SMN2PDE10A
Cinchophen SCHEMBL25519 0.83 KDM4E (1.00) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL1905456 0.83 SMN1; SMN2 (0.75) DHODHKDM4ELMNASMN1; SMN2PDE10A
SCHEMBL10759907 0.82 KDM4E (0.61) DHODHKDM4ELMNASMN1; SMN2POLB

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010020672-A1 NOVEL PHENYL-QUINOLINE-CARBOXYLIC ACID PYRIDINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-02-25 WO claimed
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US disclosed
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-03-08 US disclosed
US-20110207773-A1 NOVEL PHENYL-QUINOLINE-CARBOXYLIC ACID PYRIDINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2011-08-25 US disclosed
WO-2010020672-A1 NOVEL PHENYL-QUINOLINE-CARBOXYLIC ACID PYRIDINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-02-25 WO disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-7482458-B2 Quinoline derivatives SMITHKLINE BEECHAM FARMACEUTICA S.P.A. (IT) 2009-01-27 US disclosed
US-4711890-A TREATMENT OF ANXIETY STATES OR OF PULMONARY, RENAL, CIRCULATORY OF CARDIOVASCULAR DISORDERS RHONE-POULENC SANTE (FR) 1987-12-08 US disclosed
US-4684652-A TREATING ANXIETY OR CARDIOVASCULAR DISORDERS RHONE-POULENC SANTE (FR) 1987-08-04 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 (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-20110207773-A1 NOVEL PHENYL-QUINOLINE-CARBOXYLIC ACID PYRIDINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA10, CHRNA6 DHODH 3446/4885KDM4E 2310/4885LMNA 2726/4885
US-20120058133-A1 INHIBITION OF TRNA SYNTHETASES AND THERAPEUTIC APPLICATIONS THEREOF AARS1, GARS1, TRMT1 DHODH 2635/4885KDM4E 1144/4885LMNA 4460/4885

“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.