SCHEMBL6786535

SCHEMBL6786535

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.67
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
KDM4E B2RXH2 1/20 0.43
BRD4 O60885 1/20 0.43
NR1H4 Q96RI1 6/20 0.43
PPARG P37231 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
OPRM1 P35372 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
SLC16A3 O15427 1/20 0.41

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
SCHEMBL6785410 0.91 TERT (0.68) TERTHDAC3HDAC1KDM4EBRD4
SCHEMBL4024701 0.91 TERT (0.68) TERTHDAC3HDAC1KDM4ENR1H4
SCHEMBL6787684 0.91 TERT (0.68) TERTHDAC3HDAC1KDM4ENR1H4
SCHEMBL6782895 0.90 TERT (0.54) TERTHDAC3HDAC1KDM4EBRD4
SCHEMBL6781449 0.90 TERT (0.67) TERTHDAC3HDAC1KDM4ENR1H4
SCHEMBL6781639 0.89 TERT (0.66) TERTKDM4ENR1H4PPARGLTB4R
SCHEMBL6782056 0.89 TERT (0.71) TERTKDM4EBRD4NR1H4PPARG
SCHEMBL6787604 0.89 TERT (0.64) TERTHDAC3HDAC1KDM4ENR1H4
SCHEMBL6784618 0.89 TERT (0.64) TERTHDAC3HDAC1KDM4ENR1H4
SCHEMBL6791942 0.88 TERT (0.69) TERTKDM4ENR1H4PPARGSLC16A3

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 5 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
EP-1261321-A2 CARBOXYLIC ACID AMIDES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THE USE AND PRODUCTION THEREOF Boehringer Ingelheim Pharma KG (DE) 2002-12-04 EP 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
WO-2001007020-A2 CARBOXYLIC ACID AMIDES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND THE USE AND PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-02-01 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 (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 1/4885HDAC3 789/4885HDAC1 426/4885

“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.