SCHEMBL6713757

SCHEMBL6713757

O=C(NCc1ccc(Cl)cc1)c1ncc2ncc(CN3CCOCC3)cc2c1O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.51
KCNH2 Q12809 5/20 0.49
POLA1 P09884 2/20 0.49
ALDH1A1 P00352 1/20 0.48
MLLT1 Q03111 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PDE1B Q01064 1/20 0.46

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
SCHEMBL6665763 0.88 KCNH2 (0.54) KCNH2POLA1ALDH1A1MLLT1NPC1
SCHEMBL6668933 0.88 KCNH2 (0.52) EGLN1KCNH2POLA1ALDH1A1MLLT1
SCHEMBL6670929 0.85 POLA1 (0.50) KCNH2POLA1ALDH1A1MLLT1NPC1
SCHEMBL6201283 0.84 KCNH2 (0.54) KCNH2POLA1ALDH1A1MLLT1NPC1
SCHEMBL6716698 0.83 EGLN1 (0.47) EGLN1ALDH1A1
SCHEMBL6669690 0.83 KCNH2 (0.50) KCNH2POLA1ALDH1A1MLLT1NPC1
SCHEMBL6288581 0.79 KCNH2 (0.53) KCNH2POLA1ALDH1A1PDE1B
SCHEMBL6713689 0.78 GAA (0.46) EGLN1POLA1ALDH1A1
SCHEMBL7834787 0.77 MELK (0.46) KCNH2POLA1ALDH1A1NPC1RAB9A
SCHEMBL6286617 0.76 KCNH2 (0.58) KCNH2POLA1ALDH1A1NPC1RAB9A

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 11 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 claimed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 US claimed
EP-1363907-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-11-26 EP claimed
US-20020019397-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-14 US claimed
WO-2002004443-A2 HETEROCYCLE CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-01-17 WO claimed
US-20040180910-A1 Heterocycle carboxamides as antiviral agents SCHNUTE MARK E (US) 2004-09-16 US disclosed
US-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-09-09 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 (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-20040176366-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, NR1H3, NR1H2 EGLN1 1486/4885KCNH2 4095/4885POLA1 2447/4885
US-20040180910-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 EGLN1 134/4885KCNH2 919/4885POLA1 267/4885
US-20020019397-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 EGLN1 134/4885KCNH2 919/4885POLA1 267/4885

“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.