SCHEMBL309355

SCHEMBL309355

Nc1ccc(F)c(F)c1NCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
MITF O75030 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
TLR9 Q9NR96 1/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TTR P02766 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
RAD52 P43351 1/20 0.36
RAB9A P51151 1/20 0.36
MAP2K1 Q02750 6/20 0.35

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
SCHEMBL309163 0.82 CYP2D6 (0.36) KDM4EMITFLMNAMEN1MAPT
SCHEMBL13497803 0.77 LMNA (0.35) KDM4ELMNAMAPTHTTALDH1A1
SCHEMBL3666211 0.74 POLB (0.46) KDM4EMITFLMNAMEN1MAPT
Hydrochloric Acid SCHEMBL9012929 0.72 KDM4E (0.44) KDM4EMITFLMNAMEN1MAPT
SCHEMBL8282316 0.72 ALDH1A1 (0.43) KDM4EMEN1MAPTKMT2APOLB
SCHEMBL307956 0.71 RAB9A (0.55) MEN1MAPTKMT2AMAPK1TSHR
SCHEMBL5510292 0.70 ALDH1A1 (0.34) ALDH1A1HDAC1HDAC2
SCHEMBL6848565 0.69 ALDH1A1 (0.35) KDM4EMITFLMNAMEN1MAPT
SCHEMBL20624882 0.67 ALDH1A1 (0.42) KDM4EMEN1KMT2AMAPK1TSHR
SCHEMBL3041752 0.67 PTPN1 (0.41) KDM4EMITFLMNAMEN1MAPT

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 34 patents — showing the first 20. 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
EP-2051967-B1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS NEOMED INST (CA) 2014-12-31 EP disclosed
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
US-8093402-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2012-01-10 US disclosed
EP-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 EP disclosed
EP-1966156-B1 NEW COMPOUNDS III ASTRAZENECA AB (SE) 2011-12-21 EP disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 US disclosed
US-20080221188-A1 New Benzimidazole Derivatives ASTRAZENECA R&D SODERTALJE (SE) 2008-09-11 US disclosed
EP-1966156-A2 NEW COMPOUNDS III AstraZeneca AB (SE) 2008-09-10 EP disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 US disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 US disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 WO disclosed
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 WO disclosed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
WO-2007073303-A2 NOVEL BENZIMIDAZOLE DERIVATIVES AS VANILLOID RECEPTOR 1 (VRL) INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 WO 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 KDM4E 3644/4885MITF 1327/4885LMNA 3359/4885
US-20080171770-A1 Compounds REN, PCSK9, SLC10A1 KDM4E 3792/4885MITF 277/4885LMNA 1086/4885

“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.