SCHEMBL839543

SCHEMBL839543

Nc1cc([N+](=O)[O-])ccc1N1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
ALDH1A1 P00352 9/20 0.63
LMNA P02545 3/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
POLB P06746 2/20 0.61
APEX1 P27695 1/20 0.61
CASP6 P55212 1/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CYP1A2 P05177 3/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
KMT2A Q03164 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HPGD P15428 1/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 4/20 0.55
HTT P42858 1/20 0.55
CYP2D6 P10635 1/20 0.55

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
SCHEMBL23043630 0.98 GAA (0.69) GAAALDH1A1LMNASMN1; SMN2POLB
SCHEMBL29979387 0.98 GAA (0.69) GAAALDH1A1LMNASMN1; SMN2POLB
SCHEMBL1969337 0.86 SIRT6 (0.58) GAAALDH1A1LMNASMN1; SMN2POLB
SCHEMBL3252577 0.86 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2POLBAPEX1
SCHEMBL1842961 0.86 ADRB1 (0.58) GAAALDH1A1LMNASMN1; SMN2POLB
SCHEMBL31177578 0.83 ALDH1A1 (0.68) GAAALDH1A1LMNASMN1; SMN2POLB
SCHEMBL9404875 0.83 POLB (0.51) GAAALDH1A1LMNASMN1; SMN2POLB
SCHEMBL7807230 0.81 GAA (0.97) GAAALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL6815260 0.81 GAA (0.69) GAAALDH1A1LMNASMN1; SMN2CYP1A2
SCHEMBL5181158 0.80 GAA (0.67) GAAALDH1A1LMNASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288376-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI (FR) 2012-10-16 US disclosed
US-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2012-05-17 US disclosed
US-8143248-B2 Tricyclic N-heteroaryl-carboxamide derivatives containing a benzimidazole unit, method for preparing same and their therapeutic use SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
EP-1590322-B1 CARBONYL-AMINO SUBSTITUTED ACYL PHENYL UREA DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF SANOFI AVENTIS DEUTSCHLAND (DE) 2009-09-23 EP disclosed
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE SANOFI-AVENTIS (FR) 2009-02-12 US disclosed
US-7179941-B2 Carbonylamino-substituted acyl phenyl urea derivatives, process for their preparation and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-02-20 US disclosed
EP-1590322-A1 CARBONYL-AMINO SUBSTITUTED ACYL PHENYL UREA DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF Sanofi-Aventis Deutschland GmbH (DE) 2005-11-02 EP disclosed
US-20050014822-A1 Type 2 diabetes; such as n-{3-[3-(2-Chloro-4,5-difluorobenzoyl)ureido]-4-trifluoromethoxyphenyl}acetamide AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-20 US disclosed
WO-2004065356-A1 CARBONYL-AMINO SUBSTITUTED ACYL PHENYL UREA DERIVATIVES, METHOD FOR THE PRODUCTION AND USE THEREOF AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-05 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 (3 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-20120122852-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, CYP3A43 GAA 440/4885ALDH1A1 453/4885LMNA 2690/4885
US-20090042873-A1 TRICYCLIC N-HETEROARYL-CARBOXAMIDE DERIVATIVES CONTAINING A BENZIMIDAZOLE UNIT, METHOD FOR PREPARING SAME AND THEIR THERAPEUTIC USE CYP3A5, CYP2C8, PAICS GAA 522/4885ALDH1A1 484/4885LMNA 2463/4885
US-20050014822-A1 Type 2 diabetes; such as n-{3-[3-(2-Chloro-4,5-difluorobenzoyl)ureido]-4-trifluoromethoxyphenyl}acetamide SLC5A2, NFE2L2, SLC5A1 GAA 1738/4885ALDH1A1 164/4885LMNA 3978/4885

“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.