SCHEMBL3038035

SCHEMBL3038035

O=[N+]([O-])c1cccc(C(F)(F)F)c1NCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.48
MAPT P10636 8/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 6/20 0.44
GPR35 Q9HC97 1/20 0.42
TSHR P16473 1/20 0.42
P2RX1 P51575 1/20 0.41
PKM P14618 2/20 0.41
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ENPP2 Q13822 1/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL13971442 0.87 ALDH1A1 (0.39) RAB9AMAPTMEN1KMT2ATDP1
SCHEMBL3669432 0.85 RAB9A (0.57) RAB9AMAPTMEN1KMT2ATDP1
SCHEMBL2417023 0.81 ALDH1A1 (0.41) MAPTMEN1KMT2ATDP1GAA
SCHEMBL309307 0.81 RAB9A (0.51) RAB9AMAPTMEN1KMT2ATDP1
Diethanolamine SCHEMBL9028120 0.79 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TSHRP2RX1
SCHEMBL8748916 0.79 RAB9A (0.52) RAB9AMAPTMEN1KMT2ATDP1
SCHEMBL29162289 0.79 RAB9A (0.59) RAB9AMAPTMEN1KMT2ATDP1
SCHEMBL9501876 0.78 RAB9A (0.51) RAB9AMAPTMEN1KMT2ATDP1
SCHEMBL29566643 0.78 MAPT (0.60) RAB9AMAPTMEN1KMT2ATDP1
SCHEMBL27988404 0.78 RAB9A (0.51) RAB9AMAPTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP claimed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US claimed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP claimed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 WO claimed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
US-7645784-B2 Benzimidazole derivatives ASTRAZENECA AB (SE) 2010-01-12 US disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-20060287377-A1 New benzimidazole derivatives ASTRAZENECA AB (SE) 2006-12-21 US disclosed
EP-1626964-A2 NEW BENZIMIDAZOLE DERIVATIVES AstraZeneca AB (SE) 2006-02-22 EP disclosed
WO-2004100865-A2 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-25 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 (1 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-20060287377-A1 New benzimidazole derivatives CYP2C9, CDK9, CCNI RAB9A 375/4885MAPT 2393/4885MEN1 1947/4885

“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.