SCHEMBL694811

SCHEMBL694811

c1ccc(-c2cnno2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
LMNA P02545 3/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
POLB P06746 2/20 0.50
CYP1A2 P05177 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
P4HTM Q9NXG6 1/20 0.50
TDO2 P48775 1/20 0.44
NPC1 O15118 7/20 0.43
RAB9A P51151 7/20 0.43
TP53 P04637 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
PKM P14618 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 2/20 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
Hydrochloric Acid SCHEMBL3752997 0.98 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL25304206 0.74 MAPK14 (0.36) HSP90AA1MAPT
SCHEMBL694810 0.73
SCHEMBL3076222 0.72 KDM4E (0.62) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4978950 0.70 RAB9A (0.43) KDM4ETDO2NPC1RAB9ASMN1; SMN2
Dipyridyl SCHEMBL29351528 0.69 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL29907716 0.69 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL3711450 0.69 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL5922 0.69 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL4909534 0.68 KDM4E (0.82) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421370-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS Merck Sharp & Dohme Corp. (US) 2012-02-29 EP claimed
WO-2010124055-A1 2-ALKYL PIPERIDINE MGLUR5 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. (US) 2010-10-28 WO claimed
EP-2211619-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES Merck Sharp & Dohme Corp. (US) 2010-08-04 EP disclosed
WO-2009051705-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AND ANALOGS THEREOF AS CB2 RECEPTOR MODULATORS, USEFUL IN THE TREATMENT OF PAIN, RESPIRATORY AND NON-RESPIRATORY DISEASES MERCK & CO., INC. (US) 2009-04-23 WO disclosed
EP-1940406-A2 POTASSIUM CHANNEL INHIBITORS Merck and Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
US-20030216386-A1 Isoxazoles and oxadiazoles as anti-inflammatory inhibitors of IL-8 WEIDNER-WELLS MICHELE A (US) 2003-11-20 US disclosed
US-6579880-B2 Converting a benzaldehyde compound to an oxime in presence of hydroxylamine/hydrochloric acid and pyridine in methylene chloride, converting to intermediateand racting it with methoxyphenyl acetylene to form intermediate then final comp ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-06-17 US disclosed
US-20020049213-A1 Isoxazoles and oxadiazoles as anti-inflammatory inhibitors of IL-8 ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-04-25 US disclosed
US-5043345-A Cognition activators; alzheimer's disease NOVO NORDISK A/S (DK) 1991-08-27 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-20030216386-A1 Isoxazoles and oxadiazoles as anti-inflammatory inhibitors of IL-8 CXCL8, IL18, IL1B KDM4E 3409/4885LMNA 3853/4885CCR1 174/4885
US-20020049213-A1 Isoxazoles and oxadiazoles as anti-inflammatory inhibitors of IL-8 CXCL8, IL18, IL1B KDM4E 3409/4885LMNA 3853/4885CCR1 174/4885

“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.