SCHEMBL2599652

SCHEMBL2599652

Fc1ccc2c(c1)NCCO2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
GAA P10253 2/20 0.62
MAPT P10636 2/20 0.62
HSD17B10 Q99714 2/20 0.62
FABP6 P51161 1/20 0.60
PDE3B Q13370 2/20 0.46
PDE3A Q14432 2/20 0.46
PRKCI P41743 1/20 0.43
NR3C2 P08235 2/20 0.43
NR3C1 P04150 1/20 0.43
BRD4 O60885 1/20 0.42
AR P10275 1/20 0.39
AKR1B1 P15121 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
AKR1B10 O60218 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
SCHEMBL29469482 1.00 ALDH1A1 (0.62) ALDH1A1GAAMAPTHSD17B10FABP6
Hydrochloric Acid SCHEMBL2360497 0.98 ALDH1A1 (0.61) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL19744586 0.89 MAPT (0.50) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL30054665 0.85 FABP6 (0.56) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL1859632 0.85 FABP6 (0.56) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL8471521 0.80 FABP6 (0.42) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL18708235 0.77 ALDH1A1 (0.62) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL2933658 0.77 ALDH1A1 (1.00) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL33867 0.77 ALDH1A1 (0.62) ALDH1A1GAAMAPTHSD17B10FABP6
SCHEMBL30895878 0.77 MAPT (0.62) ALDH1A1GAAMAPTHSD17B10FABP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024170772-A1 EPIGALLOCATECHIN-3-GALLATE (EGCG) ANALOGS FOR USE IN THE TREATMENT OF DISEASES IN WHICH AN INCREASE OF NAD+ IS BENEFICIAL SUCH AS GLAUCOMA MIM NEUROSCIENCES AB (SE) 2024-08-22 WO claimed
WO-2024170772-A1 EPIGALLOCATECHIN-3-GALLATE (EGCG) ANALOGS FOR USE IN THE TREATMENT OF DISEASES IN WHICH AN INCREASE OF NAD+ IS BENEFICIAL SUCH AS GLAUCOMA MIM NEUROSCIENCES AB (SE) 2024-08-22 WO disclosed
CN-115232144-B Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof 长春金赛药业有限责任公司 2024-04-02 CN disclosed
CN-114206443-B Aromatic or heteroaromatic ring derivative and preparation method and application thereof 浙江海正药业股份有限公司 2024-02-09 CN disclosed
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS UNIV CALIFORNIA (US) 2023-05-11 US disclosed
EP-4125861-A2 PROTEIN-PROTEIN INTERACTION STABILIZERS The Regents of the University of California (US) 2023-02-08 EP disclosed
CN-115232144-A Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-10-25 CN disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20220227699-A1 AROMATIC RING OR HETEROAROMATIC RING DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2022-07-21 US disclosed
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
WO-2008121670-A1 PYRIMIDINE HYDRAZIDE COMPOUNDS AS PGDS INHIBITORS SANOFI-AVENTIS (FR) 2008-10-09 WO disclosed
US-20080139546-A1 Tetrahydroquinoline, indoline, and related aniline derivatives of heterocycle-fused benzodioxan methylamines WYETH (US) 2008-06-12 US disclosed
WO-2008042735-A1 TETRAHYDROQUINOLINE, INDOLINE, AND RELATED ANILINE DERIVATIVES OF HETEROCYCLE-FUSED BENZODIOXAN METHYLAMINES WYETH (US) 2008-04-10 WO disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
WO-2008008431-A2 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2008-01-17 WO disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 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 (8 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-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 ALDH1A1 2834/4885GAA 4469/4885MAPT 4586/4885
US-20220227699-A1 AROMATIC RING OR HETEROAROMATIC RING DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF AGTR2, AGTR1, AVPR2 ALDH1A1 765/4885GAA 3024/4885MAPT 3087/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 ALDH1A1 1867/4885GAA 4842/4885MAPT 4529/4885
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 ALDH1A1 1306/4885GAA 1938/4885MAPT 962/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 ALDH1A1 605/4885GAA 3626/4885MAPT 552/4885
US-20080139546-A1 Tetrahydroquinoline, indoline, and related aniline derivatives of heterocycle-fused benzodioxan methylamines HTR5A, HTR2C, HTR3A ALDH1A1 1655/4885GAA 4570/4885MAPT 241/4885
US-20230142739-A1 PROTEIN-PROTEIN INTERACTION STABILIZERS HSPBP1, HSPA8, HSPH1 ALDH1A1 3889/4885GAA 3615/4885MAPT 1086/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 ALDH1A1 1553/4885GAA 3500/4885MAPT 1019/4885

“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.