SCHEMBL6286484

SCHEMBL6286484

CCOC(=O)c1n[nH]c2ncc(I)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
KDM4E B2RXH2 4/20 0.44
GABRA1 P14867 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRA2 P47869 3/20 0.43
GABRA6 Q16445 3/20 0.43
GABRA4 P48169 2/20 0.43
KMT2A Q03164 4/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 1/20 0.38
PDE4B Q07343 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRB1 P18505 1/20 0.36

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
SCHEMBL4608335 0.80 POLB (0.48) POLBKDM4EGABRA1GABRG2GABRB3
SCHEMBL4605496 0.79 KDM4E (0.58) POLBKDM4EGABRA1GABRG2GABRB3
SCHEMBL618089 0.77 POLB (0.58) POLBKDM4EKMT2ALMNAALDH1A1
SCHEMBL14002611 0.75 KDM4E (0.50) POLBKDM4EGABRA1GABRA3ALDH1A1
SCHEMBL19658939 0.74 KIT (0.35) KDM4E
SCHEMBL22061414 0.72 MAPK1 (0.43) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL30200851 0.72 KDM4E (0.52) POLBKDM4EKMT2ALMNAALDH1A1
SCHEMBL5922444 0.71 KDM4E (0.66) POLBKDM4EGABRA1GABRG2GABRB3
SCHEMBL6713684 0.70 GABRA1 (0.43) KDM4EGABRA1GABRG2GABRB3GABRA5
SCHEMBL6284984 0.70 KMT2A (0.48) POLBKMT2ALMNAALDH1A1MAPT

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 7 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
EP-1301493-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-04-16 EP disclosed
US-20020025960-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-28 US disclosed
WO-2002004444-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 (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 POLB 1649/4885KDM4E 201/4885GABRA1 2698/4885
US-20020025960-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 POLB 1649/4885KDM4E 201/4885GABRA1 2698/4885
US-20030207880-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 POLB 1649/4885KDM4E 201/4885GABRA1 2698/4885

“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.