SCHEMBL5123003

SCHEMBL5123003

O=C(O)C(Cc1c[nH]c2ccccc12)NCBr

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.67
ACE P12821 3/20 0.62
ITGB2 P05107 4/20 0.62
ICAM1 P05362 4/20 0.62
ITGAL P20701 4/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
FPR2 P25090 1/20 0.61
ERAP2 Q6P179 1/20 0.61
KDM4E B2RXH2 2/20 0.60
MAPT P10636 2/20 0.60
APAF1 O14727 1/20 0.60
POLB P06746 1/20 0.60
RECQL P46063 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
MPO P05164 1/20 0.60
TSHR P16473 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60

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
SCHEMBL5123004 1.00 ALOX15 (0.67) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL8710928 0.88 SMN1; SMN2 (0.68) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL9115505 0.88 ALOX15 (0.65) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL8710933 0.88 SMN1; SMN2 (0.68) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL150050 0.88 ALOX15 (0.65) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL22654181 0.88 ALOX15 (0.65) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL9115508 0.88 ALOX15 (0.65) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL29773000 0.88 ALOX15 (0.65) ALOX15ACEITGB2ICAM1ITGAL
SCHEMBL22127126 0.86 ALOX15 (0.64) ALOX15ACEITGB2ICAM1ITGAL
Konbamidin SCHEMBL6277606 0.86 ALOX15 (0.64) ALOX15ACEITGB2ICAM1ITGAL

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 ALOX15 4597/4885ACE 220/4885ITGB2 4432/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 ALOX15 3917/4885ACE 1031/4885ITGB2 4243/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM ALOX15 4597/4885ACE 220/4885ITGB2 4432/4885

“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.