SCHEMBL5564066

SCHEMBL5564066

CN1CCCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CCNA1 P78396 1/20 0.54
ALDH1A1 P00352 6/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
HTT P42858 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
WDR5 P61964 4/20 0.52
SIRT6 Q8N6T7 2/20 0.52
PIM1 P11309 1/20 0.52
CDK4 P11802 1/20 0.52
CCND3 P30281 1/20 0.52
MTOR P42345 1/20 0.52
GSK3B P49841 1/20 0.52
HTR7 P34969 1/20 0.52
GAA P10253 3/20 0.50
KMT2A Q03164 2/20 0.48

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
SCHEMBL853678 0.95 CCNA2 (0.58) LMNACCNA2CDK2CCNA1ALDH1A1
SCHEMBL29378218 0.88 GAA (0.61) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL22465912 0.88 GAA (0.61) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL13454936 0.85 HTR7 (0.49) LMNACCNA2CDK2CCNA1ALDH1A1
SCHEMBL10127582 0.84 SIRT6 (0.56) LMNACCNA2CDK2CCNA1ALDH1A1
SCHEMBL10036256 0.83 WDR5 (0.49) LMNACCNA2CDK2CCNA1ALDH1A1
SCHEMBL861991 0.83 ALDH1A1 (0.64) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL21590163 0.82 LMNA (0.63) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL5557064 0.82 WDR5 (0.66) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL15687873 0.81 ALDH1A1 (0.59) LMNACCNA2CDK2CCNA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748997-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-07 EP disclosed
WO-2005111013-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed
US-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US 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-20050256107-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 LMNA 3173/4885CCNA2 1175/4885CDK2 929/4885

“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.