SCHEMBL130358

SCHEMBL130358

N=C1C(=O)Nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.61
ACVR1 Q04771 2/20 0.61
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
PDGFRA P16234 1/20 0.61
FER P16591 1/20 0.61
LTK P29376 1/20 0.61
CDK8 P49336 1/20 0.61
DYRK1B Q9Y463 1/20 0.61
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
IDO1 P14902 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
GSK3B P49841 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL31119388 1.00 LRRK2 (0.61) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL15721488 0.81 LRRK2 (0.50) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL2420711 0.80 LRRK2 (0.90) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL366728 0.80
Isoindigo SCHEMBL9899740 0.76 LRRK2 (0.67) LRRK2ACVR1MAOAMAOBPDGFRA
Isoindigo SCHEMBL9899736 0.76 LRRK2 (0.67) LRRK2ACVR1MAOAMAOBPDGFRA
Isoindigo SCHEMBL12386233 0.76 LRRK2 (0.67) LRRK2ACVR1MAOAMAOBPDGFRA
Isatin SCHEMBL973760 0.76 MAOA (1.00) LRRK2ACVR1MAOAMAOBPDGFRA
Isatin SCHEMBL34016 0.76 MAOA (1.00) LRRK2ACVR1MAOAMAOBPDGFRA
SCHEMBL1368292 0.76 LRRK2 (1.00) LRRK2ACVR1MAOAMAOBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671880-B Synthesis and application of indole-2, 3-dinitrile antitumor compounds containing fatty amino 大连理工大学 2023-06-06 CN claimed
CN-114671880-A Synthesis and application of indole-2, 3-dinitrile antitumor compound containing aliphatic amino 大连理工大学 2022-06-28 CN claimed
EP-1551396-A1 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF Pintex Pharmaceuticals, Inc. (US) 2005-07-13 EP claimed
WO-2004093803-A2 PHOTOCHEMOTHERAPEUTIC COMPOUNDS FOR USE IN TREATMENT OF PIN1-ASSOCIATED STATES PINTEX PHARMACEUTICALS, INC. (US) 2004-11-04 WO claimed
US-20040214872-A1 Pin1-modulating compounds and methods of use thereof PINTEX PHARMACEUTICALS, INC. 2004-10-28 US claimed
WO-2004028535-A1 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF PINTEX PHARMACEUTICALS, INC. (US) 2004-04-08 WO claimed
US-11826742-B1 Effective heterogeneous catalyst of ZnO—TiO2 coated by copper (II) bis-Schiff base hydrazone complex for the organic oxidation processes King Faisal University (SA) 2023-11-28 US disclosed
US-20130189314-A1 ENTERIC-COATED HT-2157 COMPOSITIONS AND METHODS OF THEIR USE DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-07-25 US disclosed
WO-2013109316-A1 ENTERIC-COATED HT-2157 COMPOSITIONS AND METHODS OF THEIR USE DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-07-25 WO disclosed
EP-1674526-B9 POLYACETAL RESIN COMPOSITION POLYPLASTICS CO (JP) 2013-05-29 EP disclosed
EP-1674526-B1 POLYACETAL RESIN COMPOSITION POLYPLASTICS CO (JP) 2012-12-05 EP disclosed
EP-1679346-B1 POLYACETAL RESIN COMPOSITION POLYPLASTICS CO (JP) 2012-11-14 EP disclosed
EP-1486536-B2 FLAME-RETARDANT RESIN COMPOSITION POLYPLASTICS CO (JP) 2012-10-10 EP disclosed
WO-2004093803-A2 PHOTOCHEMOTHERAPEUTIC COMPOUNDS FOR USE IN TREATMENT OF PIN1-ASSOCIATED STATES PINTEX PHARMACEUTICALS, INC. (US) 2004-11-04 WO disclosed
US-20040214872-A1 Pin1-modulating compounds and methods of use thereof PINTEX PHARMACEUTICALS, INC. 2004-10-28 US disclosed
EP-1466946-A1 FLAME-RETARDANT RESIN COMPOSITION Polyplastics Co., Ltd. (JP) 2004-10-13 EP disclosed
EP-1452567-A1 FLAME-RETARDANT RESIN COMPOSITION Polyplastics Co Ltd (JP) 2004-09-01 EP disclosed
US-20040082615-A1 3-Imino-2-indolones for the treatement of depression and/or anxiety H. LUNDBECK A/S (DK) 2004-04-29 US disclosed
WO-2004028535-A1 PIN1-MODULATING COMPOUNDS AND METHODS OF USE THEREOF PINTEX PHARMACEUTICALS, INC. (US) 2004-04-08 WO disclosed
EP-0847749-B1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them OREAL (FR) 1999-12-01 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-20040214872-A1 Pin1-modulating compounds and methods of use thereof PIN1, FKBP14, PIN4 LRRK2 1047/4885ACVR1 4665/4885MAOA 4455/4885
US-20040082615-A1 3-Imino-2-indolones for the treatement of depression and/or anxiety GALR3, GALR2, GALR1 LRRK2 675/4885ACVR1 508/4885MAOA 487/4885
US-20130189314-A1 ENTERIC-COATED HT-2157 COMPOSITIONS AND METHODS OF THEIR USE HTR7, HTR5A, HNMT LRRK2 2189/4885ACVR1 3630/4885MAOA 91/4885
US-11826742-B1 Effective heterogeneous catalyst of ZnO—TiO2 coated by copper (II) bis-Schiff base hydrazone complex for the organic oxidation processes CUL2, SOD1, AOC2 LRRK2 3353/4885ACVR1 4314/4885MAOA 194/4885

“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.