SCHEMBL6782877

SCHEMBL6782877

COC(=O)c1ccccc1NC(=O)/C=C(/C)c1ccc(I)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 3/20 0.54
TSHR P16473 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
TERT O14746 2/20 0.53
KMT2A Q03164 2/20 0.50
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 2/20 0.49
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
MAPK10 P53779 1/20 0.48
LTB4R Q15722 1/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL6783383 0.87 LTB4R (0.62) HPGDHTTSMN1; SMN2LMNATSHR
SCHEMBL6781248 0.87 TERT (0.69) SMN1; SMN2LMNATERTKMT2AMAPT
SCHEMBL14340865 0.87 TERT (0.69) SMN1; SMN2LMNATERTKMT2AMAPT
SCHEMBL6791993 0.84 CYP1A2 (0.53) HPGDHTTSMN1; SMN2LMNATSHR
SCHEMBL6784219 0.82 TERT (0.78) HPGDHTTSMN1; SMN2LMNATSHR
SCHEMBL4203434 0.82 TSHR (0.76) HPGDSMN1; SMN2LMNATSHRCYP1A2
SCHEMBL6784249 0.81 TERT (0.56) HPGDHTTSMN1; SMN2LMNATSHR
SCHEMBL6785704 0.81 TERT (0.56) HPGDHTTSMN1; SMN2LMNATSHR
SCHEMBL3071834 0.81 LMNA (0.74) HPGDHTTSMN1; SMN2LMNATSHR
SCHEMBL6780946 0.80 LMNA (0.47) HPGDHTTSMN1; SMN2LMNATSHR

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 HPGD 1051/4885HTT 585/4885SMN1; 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.