SCHEMBL6786540

SCHEMBL6786540

COC(=O)c1ccc(C(=O)Nc2ccncc2)cc1NC(=O)/C=C(/C)c1ccc2ccccc2c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
KDM4E B2RXH2 2/20 0.58
TERT O14746 5/20 0.54
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PLAU P00749 2/20 0.47
ALOX12 P18054 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
POLB P06746 2/20 0.45
PTPN1 P18031 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.43
DEGS1 O15121 1/20 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
SCHEMBL6781497 0.92 TERT (0.60) NPC1RAB9AKDM4ETERTCASP3
SCHEMBL6786240 0.90 TERT (0.67) NPC1RAB9AKDM4ETERTCASP3
SCHEMBL6790364 0.90 TERT (0.52) NPC1RAB9AKDM4ETERTSIRT2
SCHEMBL6787847 0.87 TERT (0.51) NPC1RAB9AKDM4ETERTALDH1A1
SCHEMBL6784370 0.86 TERT (0.62) NPC1RAB9AKDM4ETERTCASP3
SCHEMBL6782397 0.86 TERT (0.64) KDM4ETERTALDH1A1ALOX12KMT2A
SCHEMBL6781040 0.85 TERT (0.59) NPC1RAB9AKDM4ETERTCASP3
SCHEMBL6787458 0.84 TERT (0.58) NPC1RAB9AKDM4ETERTCASP3
SCHEMBL6785460 0.84 TERT (0.60) NPC1RAB9AKDM4ETERTCASP3
SCHEMBL6780735 0.84 TERT (0.63) NPC1RAB9AKDM4ETERTALDH1A1

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 NPC1 3387/4885RAB9A 2130/4885KDM4E 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.