SCHEMBL5037494

SCHEMBL5037494

COc1cccc(COc2ccc3c(N4CCCC4)cc(C)nc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.49
MAOB P27338 4/20 0.46
ACHE P22303 1/20 0.46
PRKDC P78527 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
CSF1R P07333 1/20 0.44
PDGFRB P09619 1/20 0.44
FLT4 P35916 1/20 0.44
FLT3 P36888 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 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
SCHEMBL5033327 0.99 NCF1 (0.51) NCF1MAOBACHEPRKDCKMT2A
Hydrochloric Acid SCHEMBL5037498 0.99 NCF1 (0.48) NCF1MAOBACHEPRKDCKMT2A
Hydrochloric Acid SCHEMBL5042719 0.98 NCF1 (0.50) NCF1MAOBACHEPRKDCKMT2A
SCHEMBL5514600 0.93 NCF1 (0.50) NCF1MAOBKMT2AMEN1RAB9A
SCHEMBL5042708 0.90 NCF1 (0.49) NCF1KMT2AMEN1MAPTTUBB4A
Hydrochloric Acid SCHEMBL5040548 0.89 NCF1 (0.48) NCF1KMT2AMEN1MAPTTUBB4A
SCHEMBL5036246 0.89 NCF1 (0.50) NCF1MAOBKMT2AMEN1NPC1
Hydrochloric Acid SCHEMBL5040490 0.88 NCF1 (0.49) NCF1MAOBKMT2AMEN1NPC1
SCHEMBL5033351 0.88 NCF1 (0.61) NCF1MAPTHTT
SCHEMBL5035939 0.88 MAOB (0.50) NCF1MAOBACHEPRKDCMETTL3

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 7 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 claimed
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 claimed
US-20020198194-A1 Quinoline derivatives HOFFMANN-LA ROCHE INC. 2002-12-26 US claimed
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

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 1052/4885MAOB 1279/4885ACHE 4120/4885
US-20050049413-A1 Quinoline derivatives NPY2R, NPY1R, NPY4R NCF1 1052/4885MAOB 1279/4885ACHE 4120/4885

“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.