SCHEMBL379545

SCHEMBL379545

Cn1cc(C=O)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.59
KDM4E B2RXH2 1/20 0.59
IMPDH2 P12268 1/20 0.53
MAPT P10636 4/20 0.50
ERN1 O75460 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PTPN1 P18031 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RASGRP3 Q8IV61 2/20 0.43

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
SCHEMBL3353614 0.88 ALDH1A1 (0.56) ALDH1A1KDM4EIMPDH2MAPTERN1
SCHEMBL13537254 0.82 ALDH1A1 (0.56) ALDH1A1KDM4EIMPDH2MAPTKMT2A
SCHEMBL3352006 0.82 MAPT (0.52) ALDH1A1MAPTERN1L3MBTL1PTPN1
SCHEMBL6764463 0.80 KMT2A (0.49) ALDH1A1KDM4EMAPTERN1PTPN1
SCHEMBL3353763 0.79 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL18096563 0.78 MAPT (0.53) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL29027035 0.78 MAPT (0.53) MAPTL3MBTL1KMT2AMEN1LMNA
SCHEMBL20507307 0.78 MAPT (0.56) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL27709706 0.77 CDK2 (0.46) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL30995729 0.77 ALDH1A1 (0.70) ALDH1A1KDM4EIMPDH2MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117263933-A Alpha-carboline derivative and synthesis method thereof 湘潭大学 2023-12-22 CN claimed
WO-2024140595-A1 TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 珂阑(上海)医药科技有限公司 2024-07-04 WO disclosed
CN-118255685-A Tricyclic compound, pharmaceutical composition and application thereof 珂阑(上海)医药科技有限公司 2024-06-28 CN disclosed
WO-2024083208-A1 KIF18A PROTEIN INHIBITOR 杭州邦顺制药有限公司 2024-04-25 WO disclosed
CN-117263933-A Alpha-carboline derivative and synthesis method thereof 湘潭大学 2023-12-22 CN disclosed
WO-2020012424-A1 SUBSTITUTED (AZA)INDOLE DERIVATIVES RICHTER GEDEON NYRT. (HU) 2020-01-16 WO disclosed
WO-2017153952-A1 5-SULFAMOYL-2-HYDROXYBENZAMIDE DERIVATIVES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-09-14 WO disclosed
US-9636341-B2 Substituted indolyl alkyl amino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N.V. (BE) 2017-05-02 US disclosed
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA NV (BE) 2015-12-03 US disclosed
US-9150543-B2 Substituted indolyl alkyl amino derivatives as inhibitors of histone deacetylase JANSSEN PHARMACEUTICA N. V. (BE) 2015-10-06 US disclosed
US-20110136841-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE VERDONCK MARC GUSTAAF CELINE 2011-06-09 US disclosed
CN-1993353-B Substituted indolyl alkylamino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV 2010-12-01 CN disclosed
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed
US-20090124646-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-14 US disclosed
CN-1993353-A Substituted indolyl alkylamino derivatives as novel inhibitors of histone deacetylase JANSSEN PHARMACEUTICA NV (BE) 2007-07-04 CN disclosed
EP-1781639-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-09 EP disclosed
WO-2006010750-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-02-02 WO disclosed
EP-0680950-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2001-05-23 EP disclosed
US-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
EP-0680950-A1 PROPENONE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-08 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 (3 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-20090124646-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 ALDH1A1 641/4885KDM4E 85/4885IMPDH2 453/4885
US-20110136841-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 ALDH1A1 641/4885KDM4E 85/4885IMPDH2 453/4885
US-20150342950-A1 SUBSTITUTED INDOLYL ALKYL AMINO DERIVATIVES AS NOVEL INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC3, HDAC2 ALDH1A1 641/4885KDM4E 85/4885IMPDH2 453/4885

“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.