SCHEMBL6284331

SCHEMBL6284331

CCOC(=O)c1cnc2ccc(I)cn2c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.77
GAA P10253 4/20 0.77
GLA P06280 3/20 0.77
HPGD P15428 5/20 0.60
ALDH1A1 P00352 4/20 0.60
HSD17B10 Q99714 4/20 0.59
NPC1 O15118 1/20 0.59
TP53 P04637 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
RAB9A P51151 1/20 0.59
RECQL P46063 1/20 0.53
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.45

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
SCHEMBL198335 0.87 KDM4E (1.00) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL17379020 0.85 KDM4E (0.77) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL11640185 0.85 KDM4E (0.77) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL4819639 0.83 TGFBR1 (0.54) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL22124675 0.82 KDM4E (0.73) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL11643359 0.79 KDM4E (0.70) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL23917952 0.77 KDM4E (0.65) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL21577471 0.75 KDM4E (0.58) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL18775603 0.75 KDM4E (0.62) KDM4EGAAGLAHPGDALDH1A1
SCHEMBL18589535 0.74 KDM4E (0.67) KDM4EGAAGLAHPGDALDH1A1

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-6903097-B2 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY (US) 2005-06-07 US disclosed
US-20040142928-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2004-07-22 US disclosed
US-20030207880-A1 Heterocycle carboxamides as antiviral agents BUNDY GORDON L (US) 2003-11-06 US disclosed
US-6559145-B2 Herpes virus PHARMACIA & UPJOHN COMPANY 2003-05-06 US disclosed
US-20020025960-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 (3 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-20040142928-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KDM4E 201/4885GAA 1182/4885GLA 1663/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KDM4E 201/4885GAA 1182/4885GLA 1663/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 KDM4E 201/4885GAA 1182/4885GLA 1663/4885

“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.