SCHEMBL5115664

SCHEMBL5115664

NC(=O)c1ccccc1[CH]Cc1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA2 P00918 1/20 0.42
PARP1 P09874 1/20 0.41
CYP19A1 P11511 1/20 0.41
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
AURKA O14965 1/20 0.39
RPS6KB1 P23443 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
GFER P55789 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8734378 0.79 KEAP1 (0.47) KDM4EALDH1A1MAPTCA2CYP19A1
SCHEMBL4704450 0.75 KDM4E (0.47) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL7527880 0.75 ALDH1A1 (0.47) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL176644 0.75 BCAT2 (0.47) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL3282649 0.74 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL9903444 0.74 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL176816 0.74 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL14813627 0.73 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL4915227 0.73 KDM4E (0.45) KDM4EALDH1A1HPGDMAPTTSHR
SCHEMBL4988520 0.72 SIRT2 (0.43) KDM4EALDH1A1TSHRPARP1SIRT2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
EP-1301487-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM CA LTD (CA) 2006-11-22 EP disclosed
US-20040224955-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-11-11 US disclosed
US-6794404-B2 BENZIMIDAZOLE DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-09-21 US disclosed
US-20030232816-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-18 US disclosed
EP-1301487-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-04-16 EP disclosed
US-6479508-B1 INHIBITOR OF RNA DEPENDENT RNA POLYMERASE ACTIVITY OF THE ENZYME NS5B ENCODED BY HEPATITIS C VIRUS FOR TREATMENT AND PREVENTION OF HEPATITIS C INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-11-12 US disclosed
US-6448281-B1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION; TREATMENT OF HEPATITIS C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-09-10 US disclosed
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-05-30 US disclosed
WO-2002004425-A2 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2002-01-17 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 (3 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-20030232816-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM KDM4E 2381/4885ALDH1A1 3670/4885HPGD 4608/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 KDM4E 3436/4885ALDH1A1 2335/4885HPGD 4350/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM KDM4E 2381/4885ALDH1A1 3670/4885HPGD 4608/4885

“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.