SCHEMBL6713684

SCHEMBL6713684

CCOC(=O)c1ncc2ncc(I)cc2c1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.43
GABRG2 P18507 7/20 0.43
GABRB3 P28472 7/20 0.43
GABRA5 P31644 7/20 0.43
GABRA3 P34903 7/20 0.43
GABRA2 P47869 7/20 0.43
GABRA6 Q16445 5/20 0.43
GABRA4 P48169 4/20 0.43
GABRP O00591 3/20 0.41
GABRD O14764 3/20 0.41
GABRB1 P18505 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRE P78334 3/20 0.41
GABRG1 Q8N1C3 3/20 0.41
GABRG3 Q99928 3/20 0.41
GABRQ Q9UN88 3/20 0.41
MAPK1 P28482 3/20 0.38
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL22061414 0.78 MAPK1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6980942 0.76 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1616605 0.75 MAPK1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29628226 0.72 NPSR1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21767966 0.72 NPSR1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10998094 0.72 MAPK1 (0.44) MAPK1MEN1PKMKMT2ANPSR1
SCHEMBL17986658 0.72 GABRA2 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23493341 0.72 EGLN1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23493335 0.72 ALDH1A1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30503436 0.72 ALDH1A1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3

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-20040180910-A1 Heterocycle carboxamides as antiviral agents SCHNUTE MARK E (US) 2004-09-16 US disclosed
US-6730682-B2 HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2004-05-04 US disclosed
EP-1363907-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-11-26 EP disclosed
US-20020019397-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-14 US disclosed
WO-2002004443-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 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 (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-20040180910-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 GABRA1 2698/4885GABRG2 3404/4885GABRB3 3059/4885
US-20020019397-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 GABRA1 2698/4885GABRG2 3404/4885GABRB3 3059/4885

“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.