SCHEMBL6865501

SCHEMBL6865501

CCCCCc1[c]ccc(C(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS2 P35354 4/20 0.32
CYP3A4 P08684 3/20 0.32
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
EPHX1 P07099 1/20 0.31
HTR2A P28223 2/20 0.31
TP53 P04637 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX5 P09917 1/20 0.31
MAPT P10636 1/20 0.31
TYR P14679 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL1777470 0.98 PTGS2 (0.33) PTGS2CYP3A4EPHX1HTR2ATP53
SCHEMBL8576130 0.98 PTGS2 (0.33) PTGS2CYP3A4EPHX1HTR2ATP53
SCHEMBL1774865 0.95 NPC1 (0.33) NPC1HPGDRAB9ASMN1; SMN2L3MBTL1
SCHEMBL15610896 0.84 HTR2A (0.33) PTGS2CYP3A4HTR2ATP53MEN1
SCHEMBL14152575 0.80 HTR2A (0.33) PTGS2CYP3A4HTR2ATP53MEN1
SCHEMBL169450 0.80 LMNA (0.33) TSHRHTTKDM4EALDH1A1LMNA
SCHEMBL677464 0.77 PTGS2 (0.42) PTGS2CYP3A4HTR2ATP53ESR1
SCHEMBL4591889 0.77 PTGS2 (0.34) PTGS2CYP3A4HTR2ATP53MEN1
SCHEMBL1940072 0.77 PTGS2 (0.37) PTGS2CYP3A4HTR2ATP53MEN1
SCHEMBL1776760 0.76 PTGS2 (0.35) PTGS2CYP3A4HTR2ATP53ESR1

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 NPC1 971/4885HPGD 3230/4885RAB9A 2067/4885
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, ZC3HAV1L NPC1 1608/4885HPGD 2419/4885RAB9A 2302/4885

“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.