SCHEMBL6784893

SCHEMBL6784893

COC(=O)c1ccc(C(=O)NCc2cccnc2)cc1NC(=O)/C=C(/C)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TSHR P16473 3/20 0.51
KMT2A Q03164 3/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
BLM P54132 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
CYP2C19 P33261 1/20 0.49
USP2 O75604 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GAA P10253 1/20 0.49
TERT O14746 4/20 0.49
POLB P06746 2/20 0.49
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
MMP13 P45452 1/20 0.45

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
SCHEMBL4024580 0.92 TERT (0.59) ALDH1A1TSHRKMT2ACYP1A2CYP3A4
SCHEMBL6787847 0.91 TERT (0.51) ALDH1A1KDM4ECYP3A4TERTPOLB
SCHEMBL6787657 0.90 TERT (0.56) ALDH1A1KMT2AHPGDKDM4EL3MBTL1
SCHEMBL6790364 0.86 TERT (0.52) ALDH1A1TSHRKMT2AKDM4EHSD17B10
SCHEMBL6783769 0.85 TERT (0.50) ALDH1A1KMT2AHPGDKDM4EHSD17B10
SCHEMBL6787673 0.84 TERT (0.57) ALDH1A1KMT2AHPGDKDM4EHSD17B10
SCHEMBL6787693 0.82 TERT (0.55) ALDH1A1HPGDKDM4EGAATERT
SCHEMBL6781509 0.82 TERT (0.55) ALDH1A1HPGDKDM4EGAATERT
SCHEMBL6787103 0.82 TERT (0.55) ALDH1A1KMT2AHPGDKDM4EGAA
SCHEMBL6785336 0.82 TERT (0.55) ALDH1A1KMT2AHPGDKDM4EL3MBTL1

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
US-6727250-B2 ADMINISTERING COMPOUNDS SUCH AS TRANS-3-(NAPHTH-2-YL)-BUT-2-ENOIC ACID-N-(2-CARBOXY-PHENYL)-AMIDE OR LIKE FOR THERAPY OF CONDITIONS ASSOCIATED WITH INCREASED TELOMERASE ACTIVITY, E.G. TUMOUR DISEASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-04-27 US disclosed
US-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-07-25 US disclosed
US-6362210-B1 ANTITUMOR, ANTICANCER AGENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-26 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-20020099089-A1 Carboxylic acid amides, pharmaceutical compositions containing these compounds, their use and preparation TERT, NAT1, POT1 ALDH1A1 102/4885TSHR 1693/4885KMT2A 490/4885

“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.