SCHEMBL6786952

SCHEMBL6786952

COC(=O)c1ccccc1NC(=O)C=Cc1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.74
ALDH1A1 P00352 7/20 0.72
KDM4E B2RXH2 6/20 0.72
HPGD P15428 6/20 0.72
SMN1; SMN2 Q16637 6/20 0.72
RAB9A P51151 5/20 0.72
MEN1 O00255 4/20 0.72
NPC1 O15118 4/20 0.72
KMT2A Q03164 4/20 0.72
NPSR1 Q6W5P4 3/20 0.72
LMNA P02545 3/20 0.65
GAA P10253 1/20 0.65
HTT P42858 1/20 0.63
MAPT P10636 2/20 0.62
THRB P10828 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.58
MMP1 P03956 2/20 0.58
MMP2 P08253 2/20 0.58
MMP9 P14780 2/20 0.58

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
SCHEMBL6786949 1.00 TRPA1 (0.74) TRPA1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL28609663 0.89 SMN1; SMN2 (0.74) TRPA1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL28609662 0.89 SMN1; SMN2 (0.74) TRPA1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8059565 0.87 TRPA1 (0.74) TRPA1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8059558 0.87 TRPA1 (0.74) TRPA1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2779999 0.85 TRPA1 (1.00) TRPA1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2779997 0.85 TRPA1 (1.00) TRPA1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8638857 0.84 SMN1; SMN2 (1.00) TRPA1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8638865 0.84 SMN1; SMN2 (1.00) TRPA1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL418156 0.83 ALDH1A1 (0.59) TRPA1ALDH1A1KDM4EHPGDSMN1; SMN2

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 TRPA1 4750/4885ALDH1A1 102/4885KDM4E 1243/4885

“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.