SCHEMBL6714914

SCHEMBL6714914

CCOC(=O)c1cn(-c2ccc(C(C)C)cc2)c2ccc(CN3CCOCC3)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.46
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 7/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.42
LMNA P02545 4/20 0.42
TSHR P16473 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
STAT3 P40763 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL6709410 0.91 NPC1 (0.48) GRM2NPC1ALDH1A1KDM4EHPGD
SCHEMBL6709588 0.91 ALDH1A1 (0.51) GRM2NPC1ALDH1A1KDM4EHPGD
SCHEMBL17896908 0.90 GRM2 (0.57) GRM2NPC1ALDH1A1KDM4EHPGD
SCHEMBL6709496 0.89 NPSR1 (0.51) GRM2NPC1ALDH1A1KDM4EHPGD
SCHEMBL6709521 0.89 KDM4E (0.48) GRM2NPC1ALDH1A1KDM4EHPGD
SCHEMBL6712622 0.87 HTT (0.52) GRM2NPC1ALDH1A1KDM4EHPGD
SCHEMBL27579789 0.86 GRM2 (0.43) GRM2NPC1ALDH1A1HPGDKMT2A
SCHEMBL6709458 0.85 CSF1R (0.51) GRM2NPC1ALDH1A1KDM4EHPGD
SCHEMBL6708251 0.85 HPGD (0.45) GRM2NPC1ALDH1A1KDM4EHPGD
SCHEMBL6712544 0.84 NPSR1 (0.51) GRM2NPC1ALDH1A1KDM4EHPGD

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 6 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
CN-1432001-A 1-aryl-4-oxo-1,4-dihydro-3-quinolinecarboxamides as antiviral agents UPJOHN CO (US) 2003-07-23 CN 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

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 GRM2 3481/4885NPC1 971/4885ALDH1A1 668/4885
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, ZC3HAV1L GRM2 3651/4885NPC1 1608/4885ALDH1A1 463/4885

“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.