SCHEMBL4028174

SCHEMBL4028174

C/C(=C/C(=O)Nc1cc(CNC2CCCC2)ccc1C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.62
DRD4 P21917 1/20 0.46
HDAC1 Q13547 1/20 0.42
SSTR3 P32745 1/20 0.42
NR1H4 Q96RI1 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
SCHEMBL7531192 0.91 TERT (0.51) TERTDRD4HDAC1SSTR3
SCHEMBL4025247 0.85 TERT (0.67) TERTNR1H4
SCHEMBL6786405 0.84 TERT (0.66) TERTDRD4
SCHEMBL4020343 0.84 TERT (0.68) TERTNR1H4
SCHEMBL6785800 0.83 TERT (0.73) TERTNR1H4
SCHEMBL6786925 0.83 TERT (0.64) TERTDRD4
SCHEMBL6786598 0.82 TERT (0.66) TERTDRD4
SCHEMBL4195176 0.81 TERT (0.67) TERTDRD4
SCHEMBL4021678 0.81 TERT (0.69) TERTNR1H4
SCHEMBL6791574 0.80 TERT (0.68) TERTDRD4

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 7 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
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 1053/4885DRD4 4373/4885HDAC1 1270/4885
US-20020128495-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and the preparation thereof ASS1, ADCY1, SUCNR1 TERT 4716/4885DRD4 2515/4885HDAC1 534/4885

“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.