SCHEMBL5115599

SCHEMBL5115599

COC(=O)c1ccc(NC2CCCCC2)c(N)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.52
ALOX15 P16050 2/20 0.49
RIPK1 Q13546 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CASP3 P42574 1/20 0.42
MEN1 O00255 2/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL22428738 0.87 ALOX15 (0.63) YAP1ALOX15KMT2AKDM4EMAPT
SCHEMBL5113145 0.81 NPSR1 (0.48) YAP1RIPK1KMT2APOLBMAPT
SCHEMBL5065680 0.75 ALOX15 (0.77) YAP1ALOX15KMT2AKDM4EGAA
SCHEMBL5116377 0.75 PTGER4 (0.62) YAP1ALOX15RIPK1KMT2APOLB
SCHEMBL22428737 0.74 KDM4E (0.50) ALOX15KMT2ATDP1KDM4EGAA
SCHEMBL25501688 0.73 GABRA1 (0.62) RIPK1GABRA1GABRG2GABRB3GABRA5
SCHEMBL27218080 0.73 ALOX15 (0.74) YAP1ALOX15KMT2AKDM4EGAA
SCHEMBL8833932 0.72 YAP1 (0.62) YAP1ALOX15RIPK1KMT2APOLB
SCHEMBL5554420 0.72 MAPK1 (0.46) ALOX15KDM4EGAAMAPTSMN1; SMN2
SCHEMBL22295534 0.71 RIPK1 (0.44) YAP1RIPK1GABRA1GABRG2GABRB3

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 16 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
US-7439258-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD (CA) 2008-10-21 US disclosed
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-6841566-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM, LTD. (CA) 2005-01-11 US 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
EP-1411928-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-04-28 EP disclosed
US-20030236251-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-25 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
WO-2003007945-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-01-30 WO 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 (4 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-20030236251-A1 Viral polymerase inhibitors POLR2H, CTDSP1, POLR2E YAP1 3880/4885ALOX15 702/4885RIPK1 4343/4885
US-20030232816-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM YAP1 3837/4885ALOX15 4597/4885RIPK1 4086/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 YAP1 3305/4885ALOX15 3917/4885RIPK1 3642/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM YAP1 3837/4885ALOX15 4597/4885RIPK1 4086/4885

“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.