SCHEMBL3874975

SCHEMBL3874975

O=[N+]([O-])c1ccc(Cl)cc1NC1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 5/20 0.56
MAPK1 P28482 3/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HCAR3 P49019 2/20 0.53
WNK1 Q9H4A3 2/20 0.53
POLB P06746 1/20 0.52
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL8884398 1.00 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL8885726 0.98 ALDH1A1 (0.59) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL17582804 0.95 MAPT (0.57) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL7177890 0.92 MAPT (0.59) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL7541568 0.88 HCAR3 (0.64) ALDH1A1MAPTMAPK1KMT2AMEN1
SCHEMBL8883112 0.87 MAPT (0.51) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL14092691 0.85 HCAR3 (0.57) ALDH1A1KDM4EMAPTMAPK1KMT2A
Bromide SCHEMBL11097137 0.85 MAPT (0.58) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL8885781 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL8884305 0.84 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101166529-B Benzotriazole derivatives as cannabinoid receptor antagonists JANSSEN PHARMACEUTICA NV 2011-11-16 CN disclosed
EP-1874304-B1 BENZOTRIAZOLE DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-07-15 EP disclosed
US-20080194656-A1 Benzotriazole Derivatives as Cannabinoid Receptor Antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-14 US disclosed
CN-101166529-A Benzotriazole derivatives as cannabinoid receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2008-04-23 CN disclosed
EP-1874304-A2 BENZOTRIAZOLE DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-09 EP disclosed
WO-2006117307-A2 BENZOTRIAZOLE DERIVATIVES AS CANNABINOID RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-09 WO disclosed
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 US disclosed
US-5585394-A INHIBITOR, ANTAGONIST OF VASOPRESSIN OR OXYTOCIN SANOFI (FR) 1996-12-17 US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 EP disclosed
EP-0636614-A1 Derivatives of 1-benzenesulfonyl-1,3-dihydro-2H-benzimidazol-2-one, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 EP disclosed
EP-0315959-B1 Quinoxaline compounds and their preparation and use NOVO NORDISK AS (DK) 1994-03-02 EP disclosed
US-5026704-A Neuroleptic agent, quisqualate-antagonist NOVO NORDISK A/S (DK) 1991-06-25 US disclosed
US-4948794-A NEUROLEPTIC AGENTS A/S FERROSAN (DK) 1990-08-14 US disclosed
EP-0315959-A2 Quinoxaline compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-05-17 EP 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-20080194656-A1 Benzotriazole Derivatives as Cannabinoid Receptor Antagonists CNR1, CNR2, HTR3C ALDH1A1 858/4885KDM4E 3439/4885MAPT 2683/4885

“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.