SCHEMBL595369

SCHEMBL595369

Oc1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
KMT2A Q03164 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 1/20 0.42
RPS6KA3 P51812 1/20 0.38

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
SCHEMBL28400263 0.98 PKM (0.43) PKMMAPTMEN1NPC1USP2
SCHEMBL672712 0.98 ESR1 (0.46) PKMMAPTMEN1NPC1USP2
SCHEMBL2028396 0.89 ADH5 (0.32)
SCHEMBL13411813 0.86 ADH5 (0.36)
SCHEMBL673067 0.84 ESR1 (0.57) MEN1KMT2AESR1ESR2MMP3
SCHEMBL9941579 0.82 ESR1 (0.56) ESR1ESR2
SCHEMBL9155822 0.81 ABL1 (0.47) PKMMAPTMEN1NPC1USP2
SCHEMBL23488248 0.81 KDM4E (0.31) ALDH1A1
SCHEMBL17254301 0.80 SNCA (0.35) MAPTMEN1USP2KMT2AALOX12
SCHEMBL17254440 0.80 ESR1 (0.33) ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536601-A Curing agent capable of resisting flame, strengthening and toughening epoxy resin, epoxy resin material and application 重庆交通大学 2022-12-30 CN claimed
CN-106800658-B 4- (1H-tetrazole-5-yl) phenol lead coordination polymer and synthesis method and application thereof 哈尔滨工业大学 2020-04-24 CN claimed
US-9724673-B2 Supported alkoxylated organotin reactant, preparation and use for heterogeneous-phase synthesis of tetrazoles UNIVERSITE DE NANTES (FR) 2017-08-08 US claimed
CN-103524329-B A kind of method of Carbonylation of Acetylene acrylic acid synthesizing PUJING CHEMICAL INDUSTRY (SHANGHAI) LIMITED (CN) 2015-07-29 CN claimed
EP-2726515-B1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES CENTRE NAT RECH SCIENT (FR) 2015-04-01 EP claimed
US-20140221631-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2014-08-07 US claimed
US-20140206825-A1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-07-24 US claimed
US-8722917-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2014-05-13 US claimed
EP-2726515-A1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES Centre National De La Recherche Scientifique (FR) 2014-05-07 EP claimed
CN-103524329-A Method for synthesizing acrylic acid through acetylene carbonylation PUJING CHEMICAL INDUSTRY SHANGHAI LTD 2014-01-22 CN claimed
WO-2013001235-A1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-01-03 WO claimed
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2012-11-15 US claimed
EP-1976536-A2 BORON-CONTAINING SMALL MOLECULES Anacor Pharmaceuticals, Inc. (US) 2008-10-08 EP claimed
WO-2007078340-A2 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2007-07-12 WO claimed
US-20070155699-A1 Boron-containing small molecules ANACOR PHARMACEUTICALS (US) 2007-07-05 US claimed
CN-116535413-B Azapolycyclic compounds, process for their preparation and their use 北京理工大学 2025-03-25 CN disclosed
CN-115536601-B Curing agent capable of flame retarding, reinforcing and toughening epoxy resin, epoxy resin material and application 重庆交通大学 2024-08-16 CN disclosed
US-4647572-A Iodoallyl and iodopropargyl substituted tetrazoles and anti-microbial compositions thereof MEIJI SEIKA KAISHA, LTD. (JP) 1987-03-03 US disclosed
EP-0163405-A2 Method of rate enhancement for triester synthesis of oligonucleotides using a catalytic alcohol, and compounds for use therein GENENTECH, INC. (US) 1985-12-04 EP disclosed
EP-0107859-A1 Tetrazole compounds, process for preparing the same and antibacterial and antifungal compositions containing the same as active ingredient MEIJI SEIKA KAISHA LTD. (JP) 1984-05-09 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-20140221631-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PKM 4663/4885MAPT 1768/4885MEN1 522/4885
US-20120289686-A1 BORON-CONTAINING SMALL MOLECULES ETF1, POLR1C, DPM1 PKM 4663/4885MAPT 1768/4885MEN1 522/4885
US-20070155699-A1 Boron-containing small molecules ETF1, POLR1C, DPM1 PKM 4663/4885MAPT 1768/4885MEN1 522/4885
US-20140206825-A1 SUPPORTED ALKOXYLATED ORGANOTIN REACTANT, PREPARATION AND USE FOR HETEROGENEOUS-PHASE SYNTHESIS OF TETRAZOLES ALK, TST, TEKT1 PKM 2300/4885MAPT 455/4885MEN1 2362/4885

“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.