SCHEMBL6787758

SCHEMBL6787758

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.51
OPRM1 P35372 2/20 0.48
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
NR1H4 Q96RI1 3/20 0.46
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ALOX12 P18054 1/20 0.44
MCHR1 Q99705 2/20 0.43

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
SCHEMBL6784666 0.95 TERT (0.52) TERTOPRM1TMEM97SIGMAR1NR1H4
SCHEMBL6782211 0.91 TERT (0.62) TERTOPRM1TMEM97SIGMAR1NR1H4
SCHEMBL6781509 0.90 TERT (0.55) TERTOPRM1TMEM97SIGMAR1NR1H4
SCHEMBL6786930 0.88 TERT (0.55) TERTNR1H4HDAC3HDAC4HDAC1
SCHEMBL6787693 0.88 TERT (0.55) TERTNR1H4HDAC3HDAC4HDAC1
SCHEMBL6785336 0.88 TERT (0.55) TERTNR1H4HDAC3HDAC4HDAC1
SCHEMBL6782895 0.87 TERT (0.54) TERTNR1H4HDAC3HDAC4HDAC1
SCHEMBL6780653 0.86 TERT (0.53) TERTNR1H4HDAC3HDAC4HDAC1
SCHEMBL6787673 0.86 TERT (0.57) TERTNR1H4KDM4EALDH1A1ALOX12
SCHEMBL6786781 0.86 TERT (0.52) TERTNR1H4HDAC3HDAC4HDAC1

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 TERT 1/4885OPRM1 4707/4885TMEM97 4406/4885

“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.