SCHEMBL6784822

SCHEMBL6784822

COC(=O)c1ccc(NC(C)=O)cc1NC(=O)CC(C)c1ccc2ccccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.48
▸ HCRTR1 O43613 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GAA P10253 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ ALDH1A1 P00352 8/20 0.45
▸ MAPT P10636 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CDK1 P06493 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HIF1A Q16665 1/20 0.42

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
SCHEMBL6787909 0.91 RAB9A (0.51) TDP1HCRTR1SMN1; SMN2GAARAB9A
SCHEMBL6790188 0.89 RAB9A (0.47) SMN1; SMN2GAARAB9AALDH1A1MAPT
SCHEMBL6784915 0.86 KMT2A (0.57) TDP1ALDH1A1MAPTKDM4EHSD17B10
SCHEMBL6789605 0.80 RAB9A (0.49) TDP1SMN1; SMN2GAARAB9AALDH1A1
SCHEMBL6781577 0.76 KMT2A (0.58) SMN1; SMN2GAARAB9AKDM4EHPGD
SCHEMBL14349697 0.71 HCAR2 (0.64) SMN1; SMN2RAB9AALDH1A1MAPTKDM4E
SCHEMBL17451237 0.71 UGT2B7 (0.50) SMN1; SMN2GAARAB9AALDH1A1MAPT
SCHEMBL10362862 0.70 SMN1; SMN2 (0.57) TDP1SMN1; SMN2RAB9AALDH1A1KDM4E
SCHEMBL11572314 0.70 SMN1; SMN2 (0.50) TDP1SMN1; SMN2GAAALDH1A1MAPT
SCHEMBL14376150 0.69 KDM4E (0.63) TDP1ALDH1A1MAPTHTTKDM4E

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 TDP1 84/4885HCRTR1 4731/4885SMN1; SMN2 62/4885

“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.

Send feedback