SCHEMBL307956

SCHEMBL307956

O=[N+]([O-])c1ccc(F)c(F)c1NCCO

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 5/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 6/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 3/20 0.39
HIF1A Q16665 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ATM Q13315 1/20 0.39
PKM P14618 1/20 0.38
ALDH3A1 P30838 1/20 0.37
GSTM2 P28161 1/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL8103843 0.86 RAB9A (0.64) RAB9AALDH1A1TDP1TSHRMAPT
SCHEMBL309286 0.85 RAB9A (0.52) RAB9AALDH1A1TDP1TSHRMAPT
SCHEMBL309307 0.81 RAB9A (0.51) RAB9AALDH1A1TDP1TSHRMAPT
SCHEMBL28995916 0.81 MAPT (0.42) ALDH1A1TDP1MAPTPOLBHIF1A
SCHEMBL8097857 0.81 LMNA (0.52) RAB9AALDH1A1TDP1MAPTKMT2A
SCHEMBL30568957 0.81 LMNA (0.52) RAB9AALDH1A1TDP1MAPTKMT2A
SCHEMBL3669432 0.78 RAB9A (0.57) RAB9AALDH1A1TDP1TSHRMAPT
SCHEMBL20512483 0.78 LMNA (0.36) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL30568936 0.78 LMNA (0.36) ALDH1A1TDP1MAPTKMT2AMEN1
SCHEMBL8088325 0.77 MAPT (0.44) RAB9AALDH1A1TDP1MAPTKMT2A

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 RAB9A 2667/4885ALDH1A1 316/4885TDP1 2725/4885
US-20080171770-A1 Compounds REN, PCSK9, SLC10A1 RAB9A 1562/4885ALDH1A1 1340/4885TDP1 3860/4885

“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.