SCHEMBL5113154

SCHEMBL5113154

NC(=O)c1ncccc1[CH]Cc1ccc(O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 4/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MET P08581 1/20 0.33
PRKCI P41743 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
FTO Q9C0B1 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
PARP1 P09874 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
AGER Q15109 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL1515655 0.79 MKNK1 (0.38) KDM4EEGLN2FTOMAPTALDH1A1
SCHEMBL5108190 0.77 PARP1 (0.42) CA2KDM4EAURKARPS6KB1MAPT
SCHEMBL5115664 0.76 KDM4E (0.43) CA2BACE1KDM4EAURKARPS6KB1
SCHEMBL2393997 0.73 TRIM24 (0.50) KDM4EMAPTALDH1A1CYP1A2PARP1
SCHEMBL7222788 0.72 KDM4E (0.40) KDM4EMAPTALDH1A1CYP1A2PARP1
SCHEMBL2840909 0.72 KDM4E (0.40) KDM4EMAPTALDH1A1CYP1A2PARP1
SCHEMBL14152216 0.68 NFE2L2 (0.39) KDM4EMAPTALDH1A1CYP1A2PARP1
SCHEMBL8734378 0.68 KEAP1 (0.47) CA2KDM4EMAPTALDH1A1FNTA
SCHEMBL324349 0.67 EGLN2 (0.51) KDM4EEGLN2FTOMAPTALDH1A1
SCHEMBL30452318 0.67 EGLN2 (0.51) KDM4EEGLN2FTOMAPTALDH1A1

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 9 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-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 CA2 3267/4885BACE1 1178/4885KDM4E 2381/4885
US-20020065418-A1 Inhibitors of hepatitis C virus replication; treatment of hepatitis C HAVCR2, HCCS, ZC3HAV1 CA2 4102/4885BACE1 2342/4885KDM4E 3436/4885
US-20040224955-A1 Viral polymerase inhibitors POLR2H, POLR2E, POLM CA2 3267/4885BACE1 1178/4885KDM4E 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.