SCHEMBL1968198

SCHEMBL1968198

Nc1cc(OCCF)c(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CDK2 P24941 1/20 0.38
KCNH2 Q12809 2/20 0.37
MLNR O43193 1/20 0.37
ADRB2 P07550 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL1968386 0.84 ALDH1A1 (0.44) LMNAMAPTALDH1A1CYP3A4ALOX15
SCHEMBL1964708 0.84 ALDH1A1 (0.47) LMNAMAPTALDH1A1KCNH2MLNR
SCHEMBL9721688 0.83 MAPT (0.55) LMNAMAPTALDH1A1CYP3A4ALOX15
SCHEMBL670299 0.83 LMNA (0.41) LMNAMAPTALDH1A1CYP3A4ALOX15
SCHEMBL1965822 0.82 ACHE (0.39) MAPTALDH1A1TDP1MEN1KMT2A
SCHEMBL9793690 0.81 MAPT (0.57) LMNAMAPTALDH1A1CYP3A4ALOX15
SCHEMBL1725804 0.79 PKM (0.50) LMNAMAPTALDH1A1CYP3A4ALOX15
SCHEMBL4384781 0.78 ALDH1A1 (0.42) LMNAMAPTALDH1A1CYP3A4ALOX15
SCHEMBL10479339 0.77 PKM (0.49) LMNAMAPTALDH1A1CYP3A4ALOX15
SCHEMBL8506490 0.76 LMNA (0.45) LMNAMAPTALDH1A1CYP3A4ALOX15

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-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 LMNA 2823/4885MAPT 480/4885ALDH1A1 1202/4885

“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.