SCHEMBL6971245

SCHEMBL6971245

CCOC(=O)C(=[N+]=[N-])C(=O)c1cc(CN2CCOCC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
STAT3 P40763 1/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.39
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
HTT P42858 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6709482 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6709487 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6708440 0.78 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL7851411 0.78 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6709488 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6711020 0.78 LMNA (0.48) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6711016 0.78 LMNA (0.48) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6709484 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6709470 0.77 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2RAB9ALMNAMAPT
SCHEMBL6710843 0.77 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2RAB9ALMNAMAPT

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
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
CN-1406228-A 4-oxo-1,4-dihydro-3-cinnolinecarboxamides as antiviral agents UPJOHN CO (US) 2003-03-26 CN disclosed
EP-1265873-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-12-18 EP 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-20020045619-A1 4-oxo-1,4-dihydro-3-cinnolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-04-18 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
WO-2001070706-A2 4-OXO-1,4-DIHYDRO-3-CINNOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-09-27 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 ALDH1A1 2845/4885KDM4E 714/4885SMN1; SMN2 3389/4885
US-20020045619-A1 4-oxo-1,4-dihydro-3-cinnolinecarboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, EIF2AK2 ALDH1A1 575/4885KDM4E 1153/4885SMN1; SMN2 2197/4885

“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.