SCHEMBL5792565

SCHEMBL5792565

C=CCOC(=O)C1=C(C)NC(=S)NC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX12 P18054 1/20 0.44
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALOX15 P16050 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.36
PKM P14618 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
SCHEMBL5911333 0.86 KMT2A (0.40) CA1CA2ALDH1A1TDP1ALOX12
SCHEMBL11256375 0.80 MAPT (0.66) CA1CA2ALDH1A1TDP1ALOX12
SCHEMBL5911459 0.78 KMT2A (0.38) CA1CA2ALDH1A1KDM4EMAPT
SCHEMBL5911621 0.76 ADORA2B (0.44) KDM4ETP53MAPTMEN1KMT2A
SCHEMBL5911359 0.76 KMT2A (0.39) CA1CA2ALDH1A1KDM4EMAPT
SCHEMBL5911460 0.75 MMP2 (0.39) CA1CA2ALDH1A1ALOX12KDM4E
SCHEMBL5911499 0.75 MMP2 (0.49) CA1CA2ALDH1A1ALOX12KDM4E
SCHEMBL5911400 0.75 MEN1 (0.44) TP53MEN1KMT2AGAA
SCHEMBL5911475 0.73 KMT2A (0.36) ALDH1A1ALOX12KDM4ETP53MAPT
SCHEMBL5911413 0.73 KDM4E (0.46) ALDH1A1TDP1ALOX12KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116390-A1 Hepatitis c virus inhibitors LG LIFE SCIENCES LTD. (KR) 2006-06-01 US disclosed
EP-1633725-A1 HEPATITIS C VIRUS INHIBITORS LG Life Sciences Ltd. (KR) 2006-03-15 EP disclosed
WO-2004111013-A1 HEPATITIS C VIRUS INHIBITORS LG LIFE SCIENCES LTD. (KR) 2004-12-23 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 (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-20060116390-A1 Hepatitis c virus inhibitors HAVCR2, LIPC, FABP1 CA1 4060/4885CA2 4435/4885ALDH1A1 1058/4885

“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.