SCHEMBL5115670

SCHEMBL5115670

NC(=O)[C@@H]1CCCN1CCNC(=O)[CH]Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.46
MAOB P27338 1/20 0.43
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
IDO1 P14902 1/20 0.41
BLM P54132 1/20 0.41
NOTUM Q6P988 1/20 0.41
PTGS2 P35354 3/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTGS1 P23219 2/20 0.39
CYP2C19 P33261 1/20 0.39
GLA P06280 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL5772686 0.87 MAOB (0.42) SPRMAOBALDH1A1NPSR1KDM4E
SCHEMBL5123146 0.80 SPR (0.46) SPRMAOBALDH1A1NPSR1KDM4E
SCHEMBL5108708 0.73 SPR (0.50) SPRMAOBALDH1A1NPSR1KDM4E
SCHEMBL5123450 0.72 SPR (0.48) SPRMAOBALDH1A1NPSR1KDM4E
SCHEMBL27191698 0.69 CYP2C19 (0.63) ALDH1A1HPGDCYP2C19
SCHEMBL7371153 0.69 SPHK1 (0.57) MAOB
SCHEMBL5121601 0.68 NPSR1 (0.46) SPRMAOBALDH1A1NPSR1KDM4E
SCHEMBL26134277 0.67 GAA (0.49) SPRALDH1A1NPSR1KDM4EHPGD
SCHEMBL7341840 0.67 SPHK1 (0.54) MAOB
SCHEMBL4098340 0.66 CCR2 (0.41)

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 8 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
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

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 SPR 2404/4885MAOB 3177/4885ALDH1A1 3670/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 SPR 2264/4885MAOB 2617/4885ALDH1A1 2335/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM SPR 2404/4885MAOB 3177/4885ALDH1A1 3670/4885

“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.