SCHEMBL5113145

SCHEMBL5113145

COC(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
YAP1 P46937 1/20 0.47
HCAR3 P49019 2/20 0.46
MAPT P10636 5/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
HTT P42858 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
TP53 P04637 1/20 0.41
OPRK1 P41145 2/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL5115599 0.81 YAP1 (0.52) NPSR1L3MBTL1YAP1MAPTSMN1; SMN2
SCHEMBL5117547 0.80 CNR2 (0.40) NPSR1L3MBTL1MAPTALDH1A1KMT2A
SCHEMBL29189923 0.74 LCK (0.43) NPSR1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL5065370 0.74 HCAR3 (0.74) NPSR1L3MBTL1YAP1HCAR3MAPT
SCHEMBL5122414 0.73 YAP1 (0.53) NPSR1L3MBTL1YAP1HCAR3MAPT
SCHEMBL187734 0.72 ALDH1A1 (0.44) L3MBTL1MAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL29150057 0.72 NOTUM (0.40) NPSR1MAPTSMN1; SMN2LMNAKMT2A
SCHEMBL22725401 0.72 HCAR3 (0.60) NPSR1L3MBTL1YAP1HCAR3MAPT
SCHEMBL5838082 0.70 HCAR3 (0.76) HCAR3SMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL21189171 0.70 MEN1 (0.55) NPSR1L3MBTL1HCAR3MAPTSMN1; SMN2

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 15 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
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 NPSR1 3559/4885L3MBTL1 892/4885YAP1 3880/4885
US-20030232816-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM NPSR1 1532/4885L3MBTL1 907/4885YAP1 3837/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 NPSR1 959/4885L3MBTL1 1020/4885YAP1 3305/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM NPSR1 1532/4885L3MBTL1 907/4885YAP1 3837/4885

“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.