SCHEMBL372200

SCHEMBL372200

OCC#Cc1cnc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
ACACB O00763 1/20 0.47
MELK Q14680 1/20 0.46
CYP1A2 P05177 1/20 0.44
PDGFRB P09619 3/20 0.44
PDGFRA P16234 3/20 0.44
MGAM O43451 1/20 0.44
RAB9A P51151 2/20 0.42
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
PIK3CA P42336 2/20 0.40
PIK3CD O00329 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 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
Biphenyl SCHEMBL372204 0.88 ALDH1A1 (0.77) ALDH1A1ACACBPDGFRBPDGFRAMGAM
SCHEMBL8907669 0.87 ALDH1A1 (0.77) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA
SCHEMBL372484 0.83 ALDH1A1 (0.70) ALDH1A1ACACBPDGFRBPDGFRAMGAM
SCHEMBL23781564 0.83 ALDH1A1 (0.71) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA
SCHEMBL10162702 0.83 ALDH1A1 (0.71) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA
SCHEMBL3059701 0.83 ALDH1A1 (0.71) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA
Biphenyl SCHEMBL372236 0.82 ALDH1A1 (0.67) ALDH1A1ACACBMGAMRAB9AABL1
Morpholine SCHEMBL372529 0.80 ALDH1A1 (0.64) ALDH1A1ACACBMGAMRAB9AABL1
SCHEMBL10130641 0.80 ALDH1A1 (0.66) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA
SCHEMBL6881031 0.80 ALDH1A1 (0.66) ALDH1A1ACACBCYP1A2PDGFRBPDGFRA

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261212-B1 Preparation of quinoline-substituted carbamate derivatives ABBVIE INC (US) 2016-08-31 EP disclosed
EP-2409964-B1 Process for the preparation of carbonate derivatives ABBOTT LAB (US) 2016-01-27 EP disclosed
EP-1192139-B1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBOTT LAB (US) 2012-04-18 EP disclosed
EP-1192139-B1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBOTT LAB (US) 2012-04-18 EP disclosed
EP-2409964-A2 Preparation of substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2012-01-25 EP disclosed
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP disclosed
US-7973039-B2 3-(1,3-benzodioxol-5-yl)-1-({[4-(4-fluorophenyl)-1-piperazinyl]sulfonyl}methyl)-2-propynyl(hydroxy)formamide; analgesics, anticarcinogenic agents, antiarthritic agents; matrix metalloproteinase inhhibitors MERCK SERONO SA (CH) 2011-07-05 US disclosed
EP-2261212-A2 Preparation of quinoline-substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2010-12-15 EP disclosed
EP-2261212-A2 Preparation of quinoline-substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2010-12-15 EP disclosed
US-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof MERCK SERONO SA (CH) 2008-08-14 US disclosed
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-11-07 US disclosed
US-6472372-B1 6-O-Carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICALS, INC. 2002-10-29 US disclosed
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-08-22 US disclosed
US-6437106-B1 ALKYLATION WITH ALKENYL CARBONATE OR CARBAMATE IN PRESENCE OF PALLADIUM CATALYST AND PHOSPHINE; CYCLIZATION ABBOTT LABORATORIES 2002-08-20 US disclosed
US-6417366-B2 CHEMICAL INTERMEDIATE FOR MACROLACTONE ANTIBIOTIC ABBOTT LABORATORIES 2002-07-09 US disclosed
WO-2002046204-A1 6-0-CARBAMOYL KETOLIDE DERIVATIVES OF ERYTHROMYCIN USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2002-06-13 WO disclosed
EP-1192139-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES Abbott Laboratories (US) 2002-04-03 EP disclosed
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-01-31 US disclosed
WO-2001000582-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES ABBOTT LABORATORIES (US) 2001-01-04 WO disclosed
WO-2000078773-A2 PROCESS FOR PREPARING 6-O-ALKENYL-SUBSTITUTED ERYTHROMYCIN DERIV ATIVES ABBOTT LABORATORIES (US) 2000-12-28 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 (4 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-20080194520-A1 Sulfonyl Amino Cyclic Derivatives and Use Thereof GLS2, SRM, GLS ALDH1A1 2059/4885ACACB 2027/4885MELK 2364/4885
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885ACACB 2590/4885MELK 4682/4885
US-20020115620-A1 6-0-carbamoyl ketolide antibacterials Q6ZSR9, HK1, KDM4E ALDH1A1 3629/4885ACACB 2121/4885MELK 3248/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 ALDH1A1 4601/4885ACACB 2590/4885MELK 4682/4885

“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.