SCHEMBL6711089

SCHEMBL6711089

CCC(Nc1ccccc1CO)=C(C(=O)O)C(=O)c1cc(CN2CCOCC2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TP53 P04637 2/20 0.45
ACHE P22303 1/20 0.42
MOK Q9UQ07 2/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
WDR5 P61964 1/20 0.38
HDAC1 Q13547 1/20 0.38
AURKA O14965 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CDK2 P24941 1/20 0.38
AURKB Q96GD4 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
SCHEMBL6709571 0.85 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2TP53ACHE
SCHEMBL6711076 0.84 SMN1; SMN2 (0.46) RAB9ANPC1SMN1; SMN2TP53ACHE
SCHEMBL6709471 0.82 RAB9A (0.53) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL6712563 0.80 ALDH1A1 (0.52) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL6711242 0.80 TP53 (0.57) RAB9ANPC1SMN1; SMN2TP53HIF1A
SCHEMBL6709418 0.77 LMNA (0.51) RAB9ANPC1SMN1; SMN2TP53ACHE
SCHEMBL6709420 0.77 LMNA (0.51) RAB9ANPC1SMN1; SMN2TP53ACHE
SCHEMBL7851411 0.76 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2TP53ACHE
SCHEMBL28750323 0.72 NPC1 (0.52) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL17478630 0.70 NPC1 (0.55) RAB9ANPC1SMN1; SMN2TP53HIF1A

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 RAB9A 2067/4885NPC1 971/4885SMN1; SMN2 4052/4885
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, ZC3HAV1L RAB9A 2302/4885NPC1 1608/4885SMN1; 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.