SCHEMBL6686020

SCHEMBL6686020

O=C(c1c[nH]c2ccc(CCCO)cc2c1=O)N(Cc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.48
GABRB2 P47870 6/20 0.48
CFTR P13569 1/20 0.48
HAT1 O14929 3/20 0.43
EP300 Q09472 3/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
GABRB1 P18505 2/20 0.41
GABRA3 P34903 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRG2 P18507 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
SCHEMBL7834749 0.84 GAA (0.48) GABRA1GABRB2CFTRPRKAB2PRKAG1
SCHEMBL6961431 0.83 ALDH1A1 (0.44) GABRA1GABRB2CFTRPOLBKMT2A
SCHEMBL6667391 0.83 KDM4E (0.41) GABRA1GABRB2CFTRHAT1EP300
SCHEMBL7843026 0.82 GABRA1 (0.45) GABRA1GABRB2CFTRPRKAB2PRKAG1
SCHEMBL7845927 0.81 HAT1 (0.44) GABRA1GABRB2CFTRHAT1EP300
SCHEMBL6958611 0.81 ALDH1A1 (0.44) GABRA1GABRB2CFTRPOLBKMT2A
SCHEMBL6667428 0.81 ALDH1A1 (0.51) CFTRPOLBKMT2A
SCHEMBL6950306 0.80 ALDH1A1 (0.43) GABRA1GABRB2CFTRPOLBKMT2A
SCHEMBL6959857 0.78 ALDH1A1 (0.45) POLBKMT2A
SCHEMBL7845316 0.77 HSD17B10 (0.44) GABRA1GABRB2CFTRLMNAKMT2A

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
EP-1292575-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2003-03-19 EP claimed
WO-2001098275-A2 1-ARYL-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2001-12-27 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO 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
US-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-08-01 US 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 (1 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-20020103220-A1 1-Aryl-4oxo-1,4-Dihydro-3-quinolinecarboxamides as antiviral agents ZC3HAV1, IRF3, ZC3HAV1L GABRA1 4527/4885GABRB2 4426/4885CFTR 4864/4885

“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.