SCHEMBL1974546

SCHEMBL1974546

CN(C)CCOc1cc(N)c(N)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.44
ALDH1A1 P00352 11/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.43
GAA P10253 2/20 0.43
MAPK1 P28482 1/20 0.43
HTR7 P34969 1/20 0.41
HRH1 P35367 2/20 0.40
ROCK2 O75116 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40

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
SCHEMBL24992868 0.82 ALDH1A1 (0.58) KDM4EALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL1972990 0.81 ALDH1A1 (0.40) KDM4EALDH1A1GAA
SCHEMBL25427117 0.80 ALDH1A1 (0.55) KDM4EALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL23861156 0.79 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL3642046 0.79 KDM4E (0.56) KDM4EALDH1A1TDP1LMNACHRNA4
SCHEMBL1965822 0.79 ACHE (0.39) KDM4EALDH1A1TDP1GAAPKM
SCHEMBL11232189 0.78 TSHR (0.59) KDM4EALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL27040855 0.77 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL25319735 0.77 HTR7 (0.54) KDM4EALDH1A1SMN1; SMN2HTR7ROCK2
SCHEMBL19859016 0.76 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040565-B2 1H-benzimidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-05-26 US disclosed
US-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
EP-2334664-A1 1H-BENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
WO-2010034797-A1 1H-BENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, MAP4 KDM4E 178/4885ALDH1A1 1080/4885SMN1; SMN2 3372/4885

“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.