SCHEMBL2068058

SCHEMBL2068058

Nc1ccc2ccccc2c1-c1c(O)ccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN22 Q9Y2R2 1/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ IDO1 P14902 1/20 0.52
▸ EP300 Q09472 1/20 0.52
▸ KAT2B Q92831 1/20 0.52
▸ KAT8 Q9H7Z6 1/20 0.52
▸ NCOR2 Q9Y618 1/20 0.52
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ POLB P06746 2/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ PABPC1 P11940 1/20 0.47
▸ CSNK1A1 P48729 1/20 0.47
▸ CSNK1D P48730 1/20 0.47
▸ BLM P54132 1/20 0.47

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
SCHEMBL29364830 1.00 PTPN22 (0.52) PTPN22HDAC3IDO1EP300KAT2B
SCHEMBL29362162 0.87 PTPN22 (0.65) PTPN22IDO1MAPTALDH1A1KDM4E
SCHEMBL29418178 0.87 ALDH1A1 (0.56) PTPN22HDAC3IDO1EP300KAT2B
SCHEMBL15400598 0.87 PTPN22 (0.65) PTPN22IDO1MAPTALDH1A1KDM4E
SCHEMBL455943 0.87 ALDH1A1 (0.56) PTPN22HDAC3IDO1EP300KAT2B
SCHEMBL29027 0.87 PTPN22 (0.65) PTPN22IDO1MAPTALDH1A1KDM4E
SCHEMBL28432478 0.87 THRB (0.45) PTPN22HDAC3IDO1EP300KAT2B
SCHEMBL30267558 0.87 THRB (0.45) PTPN22HDAC3IDO1EP300KAT2B
SCHEMBL30267536 0.86 ESR2 (0.52) PTPN22HDAC3IDO1EP300KAT2B
SCHEMBL28425968 0.86 ESR2 (0.52) PTPN22HDAC3IDO1EP300KAT2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107382779-A One planting sand storehouse must bent intermediate preparation method 江苏中邦制药有限公司 2017-11-24 — — CN claimed
US-6864347-B2 Nonlinear optical chiral compounds and devices incorporating same KVH INDUSTRIES, INC. (US) 2005-03-08 — — US claimed
WO-2003099746-A1 METHOD FOR THE PRODUCTION OF 18F-FLUORINATED ALPHA ACIDS ABX GMBH (DE) 2003-12-04 — — WO claimed
US-20030161605-A1 Nonlinear optical chiral compounds and devices incorporating same KVH INDUSTRIES, INC. 2003-08-28 — — US claimed
WO-2003003112-A1 NONLINEAR OPTICAL CHIRAL COMPOUNDS AND DEVICES INCORPORATING SAME KVH INDUSTRIES, INC. (US) 2003-01-09 — — WO claimed
WO-2001000581-A1 LIGANDS BASED ON CHIRAL 2-AMINO-2'-HYDROXY-1,1'-BINAPHTHYL AND RELATED FRAMEWORKS FOR ASYMMETRIC CATALYSIS THE PENN STATE RESEARCH FOUNDATION (US) 2001-01-04 — — WO claimed
US-20250229262-A1 CHIRAL SPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF SPHENOTECH CO., LIMITED (CN) 2025-07-17 — — US disclosed
US-20240025839-A1 METHOD OF SYNTHESIS UNIVERSITY OF DURHAM (GB) 2024-01-25 — — US disclosed
EP-3169430-B1 NEW ULTRAHIGH EFFICIENCY, SUPERFICIALLY POROUS PARTICLE (SPP) CHIRAL PHASES FOR LIQUID CHROMATOGRAPHY AZYP LLC (US) 2021-11-10 — — EP disclosed
US-20210238200-A1 CHIRAL N-SUBSTITUTED ALLYLIC AMINE COMPOUNDS UNIVERSITY OF LOUISIANA AT LAFAYETTE 2021-08-05 — — US disclosed
US-11021494-B2 Chiral N-substituted allylic amine compounds UNIVERSITY OF LOUISIANA AT LAFAYETTE (US) 2021-06-01 — — US disclosed
CN-107814729-B A kind of chirality aromatic amine compounds and preparation method thereof 中国科学技术大学 2019-11-22 — — CN disclosed
US-10272364-B2 Superficially porous particle (SPP) chiral phases for liquid chromatography AZYP, LLC (US) 2019-04-30 — — US disclosed
WO-2001000581-A1 LIGANDS BASED ON CHIRAL 2-AMINO-2'-HYDROXY-1,1'-BINAPHTHYL AND RELATED FRAMEWORKS FOR ASYMMETRIC CATALYSIS THE PENN STATE RESEARCH FOUNDATION (US) 2001-01-04 — — WO disclosed
WO-2001000581-A1 LIGANDS BASED ON CHIRAL 2-AMINO-2'-HYDROXY-1,1'-BINAPHTHYL AND RELATED FRAMEWORKS FOR ASYMMETRIC CATALYSIS THE PENN STATE RESEARCH FOUNDATION (US) 2001-01-04 — — WO disclosed
JP-2000191676-A PRODUCTION OF OPTICALLY ACTIVE AMINOPHOSPHINE COMPOUND TAKASAGO INTERNATL CORP 2000-07-11 — — JP disclosed
EP-1013658-A1 Aminophosphine-metal complex for asymmetric reactions Takasago International Corporation (JP) 2000-06-28 — — EP disclosed
CN-1255490-A Optical decomposing process of 2-amino-2'-hydroxyl-1,1'-dinaphthalene UNIV ZHENGZHOU (CN) 2000-06-07 — — CN disclosed
CN-1255490-A Optical decomposing process of 2-amino-2'-hydroxyl-1,1'-dinaphthalene UNIV ZHENGZHOU (CN) 2000-06-07 — — CN disclosed
US-5599963-A Catalysts for production of β-hydroxy carbonyl compounds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1997-02-04 — — 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 (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-20240025839-A1 METHOD OF SYNTHESIS NIT2, NAA15, ASNS PTPN22 881/4885HDAC3 1315/4885IDO1 1107/4885
US-20210238200-A1 CHIRAL N-SUBSTITUTED ALLYLIC AMINE COMPOUNDS HNMT, NNMT, PNMT PTPN22 2886/4885HDAC3 1565/4885IDO1 251/4885
US-11021494-B2 Chiral N-substituted allylic amine compounds HNMT, NNMT, PNMT PTPN22 2712/4885HDAC3 1457/4885IDO1 289/4885
US-20250229262-A1 CHIRAL SPIROCYCLIC COMPOUNDS AND METHODS OF PREPARATION AND USE THEREOF PKD1, PKD2, SYMPK PTPN22 1502/4885HDAC3 3120/4885IDO1 541/4885

“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.

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