SCHEMBL12763918

SCHEMBL12763918

COc1ccc(Cc2cnc(Oc3ccc(NC(C)C)c(C(=O)O)c3)c(C(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ ASPH Q12797 1/20 0.41
▸ RIOX2 Q8IUF8 1/20 0.41
▸ KDM8 Q8N371 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ DHODH Q02127 2/20 0.38
▸ MAPK10 P53779 6/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MAPK8 P45983 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ KDM5A P29375 1/20 0.36
▸ KDM5B Q9UGL1 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ KCNK2 O95069 1/20 0.36
▸ RBP4 P02753 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL11922604 0.79 KMT2A (0.35) KDM4ELMNAALDH1A1MAPK10MAPK8
SCHEMBL11991470 0.78 DHODH (0.34) KDM4EASPHRIOX2KDM8LMNA
SCHEMBL11992979 0.78 DHODH (0.35) KDM4EASPHRIOX2KDM8LMNA
SCHEMBL11922620 0.78 KMT2A (0.36) KDM4ELMNAALDH1A1MAPK10SMN1; SMN2
SCHEMBL12763919 0.76 F3 (0.34) LMNASMN1; SMN2CNR2KDM5AKDM5B
SCHEMBL11922580 0.75 KDR (0.41) KDM4E
SCHEMBL11991472 0.74 KMT2A (0.34) KDM4ELMNAMAPK10MAPK8
SCHEMBL11991475 0.72 KMT2A (0.33) KDM4ELMNAMAPK10GAAPTK2
SCHEMBL11922572 0.71 FPR2 (0.48) ALDH1A1
SCHEMBL11991519 0.71 KMT2A (0.35) KDM4ELMNAMAPK10MAPK8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 — — US disclosed
WO-2008019477-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — WO disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 — — 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 (1 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-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E KDM4E 3158/4885ASPH 2779/4885RIOX2 374/4885

“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.

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