SCHEMBL5121601

SCHEMBL5121601

C[C@@](CO)(NC(=O)[CH]Cc1c[nH]c2ccc(O)cc12)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.46
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
CYP2D6 P10635 4/20 0.46
BLM P54132 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
SPR P35270 2/20 0.46
IDO1 P14902 1/20 0.46
NOTUM Q6P988 1/20 0.46
LMNA P02545 3/20 0.45
NFKB1 P19838 3/20 0.45
TSHR P16473 3/20 0.45
CYP2C9 P11712 3/20 0.45
PMP22 Q01453 2/20 0.45
GLA P06280 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR2C P28335 6/20 0.44

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
SCHEMBL5108708 0.74 SPR (0.50) NPSR1ALDH1A1KDM4ECYP2D6BLM
SCHEMBL5123450 0.72 SPR (0.48) NPSR1ALDH1A1KDM4ECYP2D6BLM
SCHEMBL5121602 0.70 NPSR1 (0.63) NPSR1ALDH1A1KDM4ECYP2D6BLM
SCHEMBL29616420 0.70 NPSR1 (0.53) NPSR1ALDH1A1KDM4ECYP2D6BLM
SCHEMBL29945167 0.69 NPSR1 (0.62) NPSR1ALDH1A1KDM4ECYP2D6BLM
SCHEMBL11339569 0.69 HTR2C (0.64) NPSR1ALDH1A1KDM4ECYP2D6BLM
SCHEMBL308460 0.69 NPSR1 (0.62) NPSR1ALDH1A1KDM4ECYP2D6BLM
SCHEMBL19359707 0.68 HTR2C (0.65) NPSR1ALDH1A1KDM4ECYP2D6BLM
SCHEMBL1032415 0.68 NPSR1 (0.74) NPSR1ALDH1A1KDM4ECYP2D6BLM
SCHEMBL16590595 0.68 HTR2C (0.72) NPSR1ALDH1A1KDM4ECYP2D6BLM

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 NPSR1 1532/4885ALDH1A1 3670/4885KDM4E 2381/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 NPSR1 959/4885ALDH1A1 2335/4885KDM4E 3436/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM NPSR1 1532/4885ALDH1A1 3670/4885KDM4E 2381/4885

“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.