SCHEMBL5033285

SCHEMBL5033285

COc1ccc2c(Cl)cc(N)nc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.51
ACHE P22303 2/20 0.51
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2C9 P11712 1/20 0.49
APP P05067 1/20 0.46
MPO P05164 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSP90AA1 P07900 2/20 0.43
HSP90AB1 P08238 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
NQO2 P16083 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL23412192 0.87 NCF1 (0.56) NCF1ACHECYP1A2CYP3A4CYP2C19
SCHEMBL29420524 0.83 CYP1A2 (0.51) ACHECYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL288844 0.83 CYP1A2 (0.51) ACHECYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL859440 0.81 MAPT (0.57) ACHECYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL11350348 0.81 ALDH1A1 (0.59) NCF1ACHECYP3A4APPMPO
SCHEMBL8301655 0.81 BACE1 (0.56) NCF1ACHECYP1A2CYP2C19APP
SCHEMBL8512808 0.80 CYP1A2 (0.49) ACHECYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL1166339 0.80 NCF1 (0.51) NCF1ACHECYP1A2CYP3A4CYP2C19
SCHEMBL8342226 0.79 NCF1 (0.50) NCF1ACHEAPPMPOKDM4E
SCHEMBL13293273 0.78 NCF1 (0.49) NCF1ACHECYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395564-B1 QUINOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR HOFFMANN LA ROCHE (CH) 2008-02-27 EP disclosed
US-20050049413-A1 Quinoline derivatives MUELLER WERNER (CH) 2005-03-03 US disclosed
US-6818767-B2 NEUROPEPTIDE Y (NPY) ANTAGONISTS FOR THE TREATMENT OR PREVENTION OF ARTHRITIS, CARDIOVASCULAR DISEASES, DIABETES, RENAL FAILURE, EATING DISORDERS, OR OBESITY HOFFMANN-LA ROCHE INC. 2004-11-16 US disclosed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US disclosed
US-4279912-A ANTIALLERGENS, BRONCHODILATORS ROUSSEL UCLAF (FR) 1981-07-21 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-20020198194-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885ACHE 4120/4885CYP1A2 3050/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885ACHE 4120/4885CYP1A2 3050/4885

“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.