SCHEMBL6681678

SCHEMBL6681678

O=C(NCc1ccc(Cl)cc1)c1nnc2c(CCCn3cnc(Cl)c3Cl)cc(CN3CCOCC3)cc2c1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.45
KCNH2 Q12809 7/20 0.42
MLLT1 Q03111 1/20 0.41
ALDH1A1 P00352 2/20 0.39
ENPP2 Q13822 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
AKR1C3 P42330 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6668136 0.87 KCNH2 (0.50) POLA1KCNH2MLLT1ALDH1A1ENPP2
SCHEMBL6667277 0.86 KCNH2 (0.49) POLA1KCNH2MLLT1ALDH1A1ENPP2
SCHEMBL6668123 0.86 KCNH2 (0.49) POLA1KCNH2MLLT1ALDH1A1ENPP2
SCHEMBL6685940 0.86 KCNH2 (0.44) POLA1KCNH2MLLT1ALDH1A1ENPP2
SCHEMBL6680971 0.85 POLA1 (0.48) POLA1KCNH2MLLT1ALDH1A1NPC1
SCHEMBL6680968 0.85 POLA1 (0.48) POLA1KCNH2MLLT1ALDH1A1NPC1
SCHEMBL6671995 0.84 POLA1 (0.46) POLA1KCNH2MLLT1ALDH1A1ENPP2
SCHEMBL6690135 0.84 POLA1 (0.52) POLA1KCNH2ALDH1A1ENPP2TSHR
SCHEMBL6667809 0.83 KCNH2 (0.45) POLA1KCNH2MLLT1ALDH1A1ENPP2
SCHEMBL6669343 0.82 POLA1 (0.47) POLA1KCNH2MLLT1ALDH1A1ENPP2

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-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP claimed
US-6458788-B1 VIRICIDES; HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-10-01 US claimed
US-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-11 US claimed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 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-1265872-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP disclosed
US-6458788-B1 VIRICIDES; HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2002-10-01 US disclosed
US-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-11 US disclosed
WO-2001081318-A1 4-HYDROXYCINNOLINE-3-CARBOXYAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-11-01 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-20020042397-A1 4-hydroxycinnoline-3-carboxyamides as antiviral agents HAVCR2, ZC3HAV1, HCFC1 POLA1 2405/4885KCNH2 1186/4885MLLT1 4192/4885
US-20040067947-A1 Method of preventing or treating atherosclerosis or restenosis LDLR, MSR1, NR1H2 POLA1 2850/4885KCNH2 4046/4885MLLT1 3955/4885

“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.