SCHEMBL309256

SCHEMBL309256

O=[N+]([O-])Nc1cccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.47
KMT2A Q03164 8/20 0.47
LMNA P02545 6/20 0.42
MAPT P10636 5/20 0.42
MAPK1 P28482 3/20 0.41
HSP90AA1 P07900 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
PLA2G1B P04054 1/20 0.38

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
SCHEMBL31374378 0.83 MAPK1 (0.49) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL7208909 0.83 MAPK1 (0.49) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL28006025 0.77 HSP90AA1 (0.44) MEN1KMT2ALMNAMAPTMAPK1
Nitric Acid SCHEMBL20984111 0.76 MEN1 (0.47) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL7209295 0.73 TDP1 (0.41) MEN1KMT2ATDP1ALDH1A1
Nitric Acid SCHEMBL9805652 0.72 TSHR (0.48) MEN1KMT2AMAPTHSP90AA1TDP1
SCHEMBL11568673 0.71 MAPT (0.35) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL4772249 0.69 RAB9A (0.48) MEN1KMT2ALMNAMAPTTDP1
SCHEMBL4159994 0.69 MEN1 (0.52) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL58157 0.68 TDP1 (0.65) MEN1KMT2AMAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051967-B1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS NEOMED INST (CA) 2014-12-31 EP disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2011-06-09 US disclosed
US-7906654-B2 (S)(-)-2-(7-chloro-6-fluoro-1H-benzimidazol-1-yl)-N-{1-[4-(1-cyano-1-methylethyl)phenyl]ethyl}acetamide; treatment of pain; vanilloid receptor inhibitor; Antagonists maintain analgesic properties, but avoid pungency and neurotoxicity side effects of agonists ASTRAZENECA AB (SE) 2011-03-15 US disclosed
EP-2051967-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS AstraZeneca AB (SE) 2009-04-29 EP disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 US disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 WO disclosed
EP-0003881-A1 Substituted phenylnitramines, their preparation and their application as fungicidal agents AMERICAN CYANAMID COMPANY (US) 1979-09-05 EP disclosed
US-4130645-A Fungicidal phenylnitramines and new phenylnitramines AMERICAN CYANAMID COMPANY (US) 1978-12-19 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-20080221188-A1 New Benzimidazole Derivatives OPRD1, OPRK1, SDHA MEN1 4784/4885KMT2A 3662/4885LMNA 3359/4885
US-20110137045-A1 BENZIMIDAZOLE DERIVATIVES OPRD1, OPRK1, SDHA MEN1 4698/4885KMT2A 3789/4885LMNA 3182/4885

“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.