SCHEMBL1009423

SCHEMBL1009423

NC(=NO)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 1/20 0.58
▸ WDR5 P61964 1/20 0.56
▸ BRAF P15056 1/20 0.50
▸ KDM1A O60341 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL1009422 1.00 GRIN2B (0.58) GRIN2BWDR5BRAFKDM1ASMN1; SMN2
SCHEMBL10092621 0.91 KDM1A (0.54) GRIN2BWDR5BRAFKDM1AMEN1
Benzamidoxime SCHEMBL30242 0.85 KMT2A (0.58) GRIN2BKDM1AMEN1KMT2AMAPT
SCHEMBL22872296 0.85 KMT2A (0.58) GRIN2BKDM1AMEN1KMT2AMAPT
Benzamidoxime SCHEMBL102483 0.85 KMT2A (0.58) GRIN2BKDM1AMEN1KMT2AMAPT
Benzamidoxime SCHEMBL872652 0.85 KMT2A (0.58) GRIN2BKDM1AMEN1KMT2AMAPT
Benzamidoxime SCHEMBL27457742 0.83 POLB (0.58) GRIN2BKDM1AMEN1KMT2AMAPT
Benzamidoxime SCHEMBL9211538 0.83 KMT2A (0.56) GRIN2BKDM1AMEN1KMT2AMAPT
SCHEMBL21215222 0.83 KDM1A (0.60) KDM1AMEN1KMT2AMAPTKDM4E
SCHEMBL21215226 0.80 GFER (0.55) GRIN2BKDM1ASMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 — — US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 — — EP disclosed
US-7799924-B2 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine; histamine-H3 receptor antagonist or inverse agonist; nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders HIGH POINT PHARMACEUTICALS, LLC (US) 2010-09-21 — — US disclosed
EP-1585515-B1 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR HIGH POINT PHARMACEUTICALS LLC (US) 2009-09-16 — — EP disclosed
US-20080113995-A1 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine; histamine-H3 receptor antagonist or inverse agonist; nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders NOVO NORDISK A/S (DK) 2008-05-15 — — US disclosed
US-7332508-B2 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders NOVO NORDISK A/S (DK) 2008-02-19 — — US disclosed
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-20 — — US disclosed
EP-1585515-A2 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR NOVO NORDISK A/S (DK) 2005-10-19 — — EP disclosed
US-20050107434-A1 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders VTVX HOLDINGS II LLC 2005-05-19 — — US disclosed
WO-2004054973-A2 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR NOVO NORDISK A/S (DK) 2004-07-01 — — WO disclosed
EP-0604355-B1 Akyl Substituted heterocyclic compounds NEUROSEARCH AS (DK) 2000-08-09 — — EP disclosed
US-5554626-A TREATMENT OF PARKINSON*S DISEASE, DRUG ABUSE/DEPENDENCE; COANIE/AMPHETAMINE ADDICTION NEUROSEARCH A/S (DK) 1996-09-10 — — US disclosed
US-5444070-A TREATING A DISEASE OR DISORDER WHICH IS RESPONSIVE TO THE INHIBITION OF DOPAMINE REUPTAKE BY ADMINISTERING A TROPANE DERIVATIVE NEUROSEARCH A/S (DK) 1995-08-22 — — US disclosed
US-5374636-A Antidrug abuse, antidepressants, antiParkinson activity NEUROSEARCH A/S (DK) 1994-12-20 — — US disclosed
US-5369113-A Certain 2,3-diphenyl-2-(1,2,4-oxadiazol-5-yl)tropanes useful as dopamide reuptake inhibitors NEUROSEARCH A/S (DK) 1994-11-29 — — US disclosed
EP-0604355-A2 Akyl Substituted heterocyclic compounds NEUROSEARCH A/S (DK) 1994-06-29 — — 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 (4 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 GRIN2B 9/4885WDR5 3231/4885BRAF 1100/4885
US-20070293530-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HAT1 GRIN2B 1016/4885WDR5 1005/4885BRAF 551/4885
US-20080113995-A1 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine; histamine-H3 receptor antagonist or inverse agonist; nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders HRH3, HRH4, HRH2 GRIN2B 293/4885WDR5 1030/4885BRAF 4295/4885
US-20050107434-A1 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders HRH4, HRH3, HRH2 GRIN2B 328/4885WDR5 905/4885BRAF 3667/4885

“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.

Send feedback