SCHEMBL130712

SCHEMBL130712

CN1Cc2ccccc2C1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.71
MAOB P27338 2/20 0.71
DRD1 P21728 4/20 0.50
DRD5 P21918 3/20 0.50
DRD3 P35462 2/20 0.50
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
NOTUM Q6P988 1/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 1/20 0.44
RXFP1 Q9HBX9 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL24964880 0.97 MAOA (0.68) MAOAMAOBDRD1DRD5DRD3
Bromide SCHEMBL2646357 0.97 MAOA (0.68) MAOAMAOBDRD1DRD5DRD3
SCHEMBL24227957 0.92 DRD1 (0.62) MAOAMAOBDRD1DRD5DRD3
SCHEMBL1649346 0.86 MAOA (0.56) MAOAMAOBDRD1DRD5DRD3
SCHEMBL29390912 0.84 MAOA (1.00) MAOAMAOBDRD1DRD5DRD3
SCHEMBL98108 0.84 MAOA (1.00) MAOAMAOBDRD1DRD5DRD3
Hydrochloric Acid SCHEMBL23501375 0.82 MAOA (1.00) MAOAMAOBDRD1DRD5DRD3
SCHEMBL14573056 0.81 MAOA (0.56) MAOAMAOBDRD1DRD5DRD3
SCHEMBL1950767 0.80 MAOA (0.75) MAOAMAOBDRD1DRD5DRD3
SCHEMBL4320673 0.80 MAOA (0.91) MAOAMAOBDRD1DRD5DRD3

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 1552 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917927-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2021-12-08 EP claimed
CN-113365990-A Polymorphs of methylisoindin and improved formulations of methylisoindin 纳特罗根治疗国际有限公司 2021-09-07 CN claimed
WO-2020156323-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-08-06 WO claimed
US-20130316279-A1 Organic Semiconductor Composition CENTRAL GLASS COMPANY, LIMITED (JP) 2013-11-28 US claimed
CN-100488958-C 3-substituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP SANOFI (JP) 2009-05-20 CN claimed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US claimed
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment Neophore Limited (GB) 2026-02-17 US disclosed
CN-115003677-B Compounds having inhibitory activity against KRAS G12D mutations 大鹏药品工业株式会社 2024-08-27 CN disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2024-07-18 US disclosed
US-12037641-B2 Modified nucleotide reagents PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2024-07-16 US disclosed
US-12037641-B2 Modified nucleotide reagents PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2024-07-16 US disclosed
WO-2024132801-A1 XANTHENE COMPOUNDS HAVING A WAVELENGTH IN THE RANGE FROM 650 TO 1200 NM BASF SE (DE) 2024-06-27 WO disclosed
EP-0186187-B1 CEPHALOSPORIN DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-02-26 EP disclosed
EP-0452987-A1 Isoindoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-10-23 EP disclosed
US-4954590-A SUBJECTING ISOINDOLINE ISOINDOLE COMPOUND TO OXIDATIVE POLYMERIZATION; ELECTROCONDUCTIVE POLYMER SHOWA DENKO KABUSHIKI KAISHA (JP) 1990-09-04 US disclosed
US-4833231-A Polymer having isoindole structure SHOWA DENKO KABUSHIKI KAISHA (JP) 1989-05-23 US disclosed
EP-0248915-A1 POLYMERS HAVING ISOINDOLE STRUCTURE AND PROCESS FOR THEIR PREPARATION SHOWA DENKO KABUSHIKI KAISHA (JP) 1987-12-16 EP disclosed
US-4677100-A ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-06-30 US disclosed
EP-0186187-A2 Cephalosporin derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1986-07-02 EP 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-12037641-B2 Modified nucleotide reagents POLL, POLN, POLM MAOA 2805/4885MAOB 2201/4885DRD1 2308/4885
US-12552758-B2 Inhibitors of MLH1 and/or PMS2 for cancer treatment MSH2, PMS2, MSH6 MAOA 2701/4885MAOB 2187/4885DRD1 3880/4885
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ MAOA 2112/4885MAOB 1496/4885DRD1 3655/4885
US-20240239801-A1 PYRIMIDO[5,4,D]PYRIMIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF NRAS, BRAF, KRAS MAOA 3729/4885MAOB 2309/4885DRD1 1316/4885

“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.