SCHEMBL6709571

SCHEMBL6709571

CCC(Nc1cccc(CO)c1)=C(C(=O)O)C(=O)c1cc(CN2CCOCC2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
TP53 P04637 3/20 0.46
LMNA P02545 2/20 0.45
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
HIF1A Q16665 2/20 0.42
EPAS1 Q99814 2/20 0.42
CASR P41180 1/20 0.42
HTT P42858 1/20 0.41
RHOA P61586 1/20 0.41
KCNH2 Q12809 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ACKR3 P25106 1/20 0.40
MAPT P10636 1/20 0.40
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39

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
SCHEMBL6711076 0.91 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL6711242 0.89 TP53 (0.57) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL6709471 0.87 RAB9A (0.53) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL6711089 0.85 RAB9A (0.45) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL6712563 0.84 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL6709569 0.77 LMNA (0.42) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL5521905 0.77 NTRK1 (0.45) HIF1AACKR3POLB
SCHEMBL7851411 0.76 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1NPC1RAB9ATP53
SCHEMBL5525554 0.73 ACKR3 (0.42) RHOAKCNH2ACKR3ABL1
SCHEMBL28750323 0.72 NPC1 (0.52) SMN1; SMN2ALDH1A1NPC1RAB9ATP53

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 SMN1; SMN2 4052/4885ALDH1A1 668/4885NPC1 971/4885
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, ZC3HAV1L SMN1; SMN2 4347/4885ALDH1A1 463/4885NPC1 1608/4885

“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.