SCHEMBL2866199

SCHEMBL2866199

CN(C)C=Cc1sc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
ALDH1A1 P00352 6/20 0.39
HCAR3 P49019 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 3/20 0.37
POLB P06746 1/20 0.37
MMP14 P50281 1/20 0.37
USP47 Q96K76 1/20 0.36
HTT P42858 2/20 0.35
PTGS2 P35354 1/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CASP6 P55212 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2866197 1.00 MAPT (0.39) MAPTALDH1A1HCAR3GAAKDM4E
SCHEMBL1242468 0.88 USP10 (0.41) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL1242472 0.88 USP10 (0.41) MAPTALDH1A1GAAKDM4ETDP1
SCHEMBL15577220 0.78 MAPT (0.38) MAPTALDH1A1HCAR3GAAKDM4E
SCHEMBL15577221 0.78 MAPT (0.38) MAPTALDH1A1HCAR3GAAKDM4E
SCHEMBL1242736 0.72 DAO (0.55) MAPTALDH1A1HCAR3GAAKDM4E
SCHEMBL1456043 0.72 DAO (0.55) HCAR3USP47TSHRCA1CA2
SCHEMBL3230116 0.70 CA1 (0.43) MAPTALDH1A1HCAR3KDM4EUSP47
SCHEMBL1465976 0.70 PTGS2 (0.42) MAPTALDH1A1HCAR3GAAKDM4E
SCHEMBL1465972 0.70 PTGS2 (0.42) MAPTALDH1A1HCAR3GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 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-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 MAPT 3246/4885ALDH1A1 351/4885HCAR3 4753/4885

“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.