SCHEMBL6712563

SCHEMBL6712563

CCC(Nc1ccc(C(C)C)cc1)=C(C(=O)O)C(=O)c1cc(CN2CCOCC2)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 3/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 7/20 0.49
LMNA P02545 3/20 0.49
NPC1 O15118 8/20 0.48
RAB9A P51151 7/20 0.48
TP53 P04637 2/20 0.48
NTRK1 P04629 1/20 0.45
FAAH O00519 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.41
ABL1 P00519 1/20 0.41
RIN1 Q13671 1/20 0.41

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
SCHEMBL6709471 0.92 RAB9A (0.53) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL6709571 0.84 SMN1; SMN2 (0.46) ALDH1A1MAPTSMN1; SMN2LMNANPC1
SCHEMBL6711076 0.84 SMN1; SMN2 (0.46) ALDH1A1MAPTSMN1; SMN2LMNANPC1
SCHEMBL6711242 0.82 TP53 (0.57) ALDH1A1MAPTSMN1; SMN2LMNANPC1
SCHEMBL6711089 0.80 RAB9A (0.45) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6712562 0.76 MAPK1 (0.47) ALDH1A1MAPK1GAAMAPTSMN1; SMN2
SCHEMBL7851411 0.76 ALDH1A1 (0.45) ALDH1A1MAPK1MAPTSMN1; SMN2LMNA
SCHEMBL28750323 0.72 NPC1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL17478630 0.71 NPC1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9ATP53
SCHEMBL5519869 0.70 KDM4E (0.41) ALDH1A1GAAMAPTSMN1; SMN2LMNA

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 5 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

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 668/4885MAPK1 1160/4885GAA 720/4885
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, ZC3HAV1L ALDH1A1 463/4885MAPK1 1162/4885GAA 748/4885

“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.