SCHEMBL6696488

SCHEMBL6696488

O=C(NCc1ccc(Cl)cc1)c1nn(CSc2ccccc2)c2ccc(CN3CCOCC3)cc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
PTGER4 P35408 3/20 0.49
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 2/20 0.47
KCNH2 Q12809 6/20 0.46
POLA1 P09884 2/20 0.46
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCB1 P08183 1/20 0.43
GALR3 O60755 1/20 0.42

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
SCHEMBL6692192 0.88 KCNH2 (0.50) ALDH1A1PTGER4RAB9ANPC1MAPT
SCHEMBL6696363 0.86 ALDH1A1 (0.48) ALDH1A1PTGER4RAB9AKCNH2POLA1
SCHEMBL6691145 0.85 KCNH2 (0.48) ALDH1A1PTGER4KCNH2POLA1MEN1
SCHEMBL6667644 0.84 F2 (0.57) ALDH1A1RAB9ANPC1MAPTKCNH2
SCHEMBL6694391 0.83 KCNH2 (0.49) ALDH1A1PTGER4MAPTKCNH2POLA1
SCHEMBL6695780 0.83 KCNH2 (0.55) ALDH1A1RAB9ANPC1KCNH2POLA1
SCHEMBL6695310 0.82 KCNH2 (0.49) ALDH1A1PTGER4KCNH2POLA1MEN1
SCHEMBL6695586 0.82 KCNH2 (0.49) ALDH1A1PTGER4RAB9ANPC1KCNH2
SCHEMBL6695875 0.81 POLA1 (0.50) ALDH1A1PTGER4KCNH2POLA1MEN1
SCHEMBL6695810 0.80 POLA1 (0.48) ALDH1A1PTGER4KCNH2POLA1MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-04-08 US claimed
EP-1265873-B1 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2003-10-15 EP claimed
US-6624160-B2 Especially infections of herpes simplex virus type 1, 2, 6, 7, or 8, varicella zoster virus, human cytomegalovirus or epstein-Barr virus; enzyme inhibitors of virus DNA polymerase PHARMACIA & UPJOHN CO. 2003-09-23 US claimed
EP-1265873-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP claimed
US-20020045619-A1 4-oxo-1,4-dihydro-3-cinnolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-18 US claimed
WO-2001070706-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-09-27 WO claimed
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis WATHEN MICHAEL W 2004-04-08 US disclosed
EP-1265873-B1 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2003-10-15 EP disclosed
US-6624160-B2 Especially infections of herpes simplex virus type 1, 2, 6, 7, or 8, varicella zoster virus, human cytomegalovirus or epstein-Barr virus; enzyme inhibitors of virus DNA polymerase PHARMACIA & UPJOHN CO. 2003-09-23 US disclosed
US-20020045619-A1 4-oxo-1,4-dihydro-3-cinnolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-18 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-20020045619-A1 4-oxo-1,4-dihydro-3-cinnolinecarboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, EIF2AK2 ALDH1A1 575/4885PTGER4 2446/4885RAB9A 1473/4885
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, NR1H2 ALDH1A1 638/4885PTGER4 526/4885RAB9A 1437/4885

“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.