SCHEMBL6668075

SCHEMBL6668075

Cn1nc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(CC3CCOCC3)cc(C#CC(O)c3ccccc3)c21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
POLA1 P09884 2/20 0.38
THRB P10828 1/20 0.38
PTGER4 P35408 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL7080399 0.92 ABCB1 (0.37) ABCB1MAPTALDH1A1POLBPKM
SCHEMBL7214819 0.92 ABCB1 (0.36) ABCB1MAPTALDH1A1POLBPKM
SCHEMBL6694399 0.90 MAPT (0.41) ABCB1MAPTALDH1A1POLBPKM
SCHEMBL6694017 0.87 POLA1 (0.40) MAPTALDH1A1POLA1THRBSMN1; SMN2
SCHEMBL6694556 0.85 POLA1 (0.41) MAPTPOLA1THRBSMN1; SMN2
SCHEMBL6695578 0.85 ABCB1 (0.40) ABCB1MAPTALDH1A1POLBPKM
SCHEMBL6669520 0.85 ABCB1 (0.39) ABCB1MAPTALDH1A1POLBPKM
SCHEMBL6670559 0.85 POLA1 (0.42) MAPTPOLA1THRBSMN1; SMN2
SCHEMBL6667340 0.83 PTGER4 (0.34) ABCB1PTGER4
SCHEMBL6695580 0.82 ALDH1A1 (0.43) ABCB1MAPTALDH1A1POLBPKM

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 12 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
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO 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
WO-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO 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 ABCB1 810/4885MAPT 4784/4885ALDH1A1 575/4885
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, NR1H2 ABCB1 2132/4885MAPT 4862/4885ALDH1A1 638/4885

“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.