SCHEMBL4021678

SCHEMBL4021678

C/C(=C/C(=O)Nc1cc(CN(C)C)ccc1C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.69
ACHE P22303 1/20 0.43
KDM4E B2RXH2 1/20 0.40
NR1H4 Q96RI1 2/20 0.40
LTB4R Q15722 1/20 0.40
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39

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
SCHEMBL7527436 0.90 TERT (0.56) TERTKDM4E
SCHEMBL6785800 0.89 TERT (0.73) TERTKDM4ENR1H4LTB4RHCAR2
SCHEMBL4020343 0.85 TERT (0.68) TERTKDM4ENR1H4LTB4RHCAR2
SCHEMBL6783732 0.85 TERT (0.85) TERTKDM4ENR1H4LTB4R
SCHEMBL6785062 0.84 TERT (0.73) TERTKDM4ELTB4RPDK2PDK4
SCHEMBL4025247 0.84 TERT (0.67) TERTKDM4ENR1H4LTB4R
SCHEMBL6783977 0.83 TERT (0.68) TERTKDM4ELTB4R
SCHEMBL6783547 0.83 TERT (0.68) TERTKDM4ELTB4R
SCHEMBL6785228 0.83 TERT (0.78) TERTKDM4ELTB4R
SCHEMBL6782070 0.82 TERT (0.71) TERTKDM4ENR1H4LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6492547-B2 E.G., TRANS-3-NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-5-DIMETHYLAMINOMETHYL-PHENYL)-AMIDE; ANTITUMOR, ANTICARCINOGENIC AGENTS; TELOMERASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-10 US claimed
US-20020128495-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-12 US claimed
WO-2002051795-A1 CARBOXAMIDES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE AND PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-04 WO claimed
US-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY 2011-03-03 US disclosed
WO-2009100323-A2 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS GRAND VALLEY STATE UNIVERSITY (US) 2009-08-13 WO disclosed
US-6492547-B2 E.G., TRANS-3-NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-5-DIMETHYLAMINOMETHYL-PHENYL)-AMIDE; ANTITUMOR, ANTICARCINOGENIC AGENTS; TELOMERASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-10 US disclosed
US-20020128495-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and the preparation thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-12 US disclosed
WO-2002051795-A1 CARBOXAMIDES, MEDICAMENTS CONTAINING SAID COMPOUNDS, USE AND PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-04 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 (2 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-20110054034-A1 METHODS OF USING CARBOXYLIC AMIDES AS ANTIMICROBIAL AGENTS NAAA, ELANE, APEH TERT 1053/4885ACHE 1345/4885KDM4E 3052/4885
US-20020128495-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and the preparation thereof ASS1, ADCY1, SUCNR1 TERT 4716/4885ACHE 2476/4885KDM4E 2191/4885

“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.