SCHEMBL6709487

SCHEMBL6709487

CCOC=C(C(=O)OCC)C(=O)c1cc(CN2CCOCC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
STAT3 P40763 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CNR2 P34972 1/20 0.39
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

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 1.00 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6709488 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6711020 0.83 LMNA (0.48) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6711016 0.83 LMNA (0.48) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6709484 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6710843 0.82 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2RAB9ALMNATSHR
SCHEMBL6709470 0.82 SMN1; SMN2 (0.46) KDM4ESMN1; SMN2RAB9ALMNATSHR
SCHEMBL6971245 0.82 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6711230 0.82 LMNA (0.53) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA
SCHEMBL6711226 0.82 LMNA (0.53) ALDH1A1KDM4ESMN1; SMN2RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040024209-A1 1-Aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents SCHNUTE MARK E (US) 2004-02-05 US disclosed
US-6653307-B2 Such as N-(4-chlorobenzyl)-6-(4-morpholinylmethyl)-4-oxo-1-phenyl-1,4-dihydro-3-quinolinecarboxamide for treatment of herpes virus; viral DNA polymerase inhibitors PHARMACIA & UPJOHN COMPANY 2003-11-25 US disclosed
EP-1292575-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-19 EP disclosed
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-08-01 US disclosed
WO-2001098275-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 WO disclosed
EP-1140850-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-10-10 EP disclosed
US-6248739-B1 DNA POLYMERASE INHIBITORS EFFECTIVE AGAINST HERPESVIRUSES PHARMACIA & UPJOHN COMPANY 2001-06-19 US disclosed
WO-2000040561-A1 QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-07-13 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-20040024209-A1 1-Aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, IRF3 ALDH1A1 668/4885KDM4E 314/4885SMN1; SMN2 4052/4885
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, ZC3HAV1L ALDH1A1 463/4885KDM4E 178/4885SMN1; SMN2 4347/4885

“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.