SCHEMBL6736032

SCHEMBL6736032

CCOC(=O)c1cn2c3c(cc(I)cc3c1=O)C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)CN2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
STAT3 P40763 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
BAZ2A Q9UIF9 1/20 0.32
ADRB2 P07550 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 1/20 0.31
POLB P06746 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL9031772 0.75 STAT3 (0.48) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3287574 0.73 KDM4E (0.39) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL7935807 0.67 MAP2K2 (0.53) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3290754 0.67 KMT2A (0.42) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL3290751 0.67 STAT3 (0.41) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL4126212 0.66 KDM4E (0.41) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL1431372 0.66 KDM4E (0.43) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL6724152 0.66 TDP1 (0.40) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL6724013 0.65 MAP2K2 (0.40) LMNAHPGDKDM4EALDH1A1HSD17B10
SCHEMBL13266586 0.65 LMNA (0.45) LMNAHPGDKDM4EALDH1A1HSD17B10

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-20040029879-A1 Heterocycle carboxamides as antiviral agents ANDERSON DAVID JOHN (US) 2004-02-12 US disclosed
US-6624159-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-09-23 US disclosed
US-20020025959-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 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 (2 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-20040029879-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 LMNA 4330/4885HPGD 1618/4885KDM4E 201/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 LMNA 4330/4885HPGD 1618/4885KDM4E 201/4885

“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.