SCHEMBL6724152

SCHEMBL6724152

CCOC(=O)c1cn2c3c(cc(I)cc3c1=O)N(C)C(=O)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
POLA1 P09884 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
LMNA P02545 1/20 0.39
STAT3 P40763 2/20 0.38
KMT2A Q03164 2/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 2/20 0.36
MAP2K2 P36507 1/20 0.35
MAP2K1 Q02750 1/20 0.35
POLB P06746 1/20 0.35
ADRB2 P07550 1/20 0.35
PIM1 P11309 1/20 0.35
IRAK1 P51617 1/20 0.35
CAMK2B Q13554 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
SCHEMBL6620430 0.80 POLA1 (0.65) POLA1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4126212 0.76 KDM4E (0.41) TDP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3810010 0.75 KMT2A (0.44) TDP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4186260 0.74 KDM4E (0.41) TDP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1431372 0.74 KDM4E (0.43) TDP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL7935807 0.74 MAP2K2 (0.53) TDP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4175922 0.72 KDM4E (0.42) TDP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3287574 0.71 KDM4E (0.39) TDP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL4131419 0.71 KDM4E (0.54) TDP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL1432398 0.70 KMT2A (0.49) TDP1KDM4EALDH1A1HSD17B10HPGD

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 TDP1 1534/4885POLA1 267/4885KDM4E 201/4885
US-20020025959-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 TDP1 1534/4885POLA1 267/4885KDM4E 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.