SCHEMBL660986

SCHEMBL660986

CCC(=O)NCc1ccc(C)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.62
MEN1 O00255 5/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.59
TDP1 Q9NUW8 1/20 0.58
USP2 O75604 1/20 0.58
HPGD P15428 1/20 0.55
POLB P06746 2/20 0.54

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
Toluene SCHEMBL10972899 0.87 SMN1; SMN2 (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL826020 0.86 KMT2A (0.53) KMT2AALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL17335992 0.85 CYP3A4 (0.63) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL13932527 0.84 KMT2A (0.83) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL12326826 0.84 KMT2A (0.62) KMT2AMEN1ALDH1A1LMNANPC1
SCHEMBL934531 0.84 TRPV1 (0.54) KMT2AMEN1ALDH1A1USP2HPGD
SCHEMBL21648724 0.84 EPHX2 (0.51) ALDH1A1LMNAHPGD
SCHEMBL13181415 0.84 KMT2A (0.61) KMT2AALDH1A1RAB9AHPGDPOLB
SCHEMBL13024401 0.84 TPSAB1 (0.50) ALDH1A1LMNATDP1HPGD
SCHEMBL23564742 0.82 KMT2A (0.65) KMT2AMEN1ALDH1A1LMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2023225568-A1 METHODS FOR IDENTIFYING REACTIVE FUNCTIONAL CYSTEINES IN NUCLEAR PROTEINS TALUS BIOSCIENCE, INC. (US) 2023-11-23 WO disclosed
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20200131140-A1 CONTROLLED CYCLIZATION OF PEPTOIDS TO FORM CHIRAL DIKETOPIPERAZINES TRIAD NATIONAL SECURITY, LLC (US) 2020-04-30 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
US-9353120-B2 Tetraaza macrocyclic compound, preparation method thereof and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-05-31 US disclosed
US-9345739-B2 Methods and compositions for the treatment of proteinuric diseases THE GENERAL HOSPITAL CORPORATION (US) 2016-05-24 US disclosed
US-20150316658-A1 CONTRAST AGENT FOR OPTICAL IMAGING, USE THEREOF AND APPARATUS USING THE SAME KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-11-05 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2009-06-04 US disclosed
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 US disclosed
US-7279468-B2 Integrin ligands ABBOTT GMBH & CO. KG (DE) 2007-10-09 US disclosed
US-7279468-B2 Integrin ligands ABBOTT GMBH & CO. KG (DE) 2007-10-09 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
EP-0473225-B1 Process for iodinating or brominating the alpha-methylenic carbon of a 3-oxo-4aza-steroid MERCK & CO INC (US) 1997-07-09 EP disclosed
US-5120847-A Chemical intermediate which can be dehydrohalogenation MERCK & CO., INC. (US) 1992-06-09 US disclosed
EP-0473225-A2 Process for iodinating or brominating the alpha-methylenic carbon of a secondary amide MERCK & CO. INC. (US) 1992-03-04 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 (9 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 KMT2A 2755/4885MEN1 903/4885ALDH1A1 1477/4885
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 KMT2A 2953/4885MEN1 1785/4885ALDH1A1 1104/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 KMT2A 4200/4885MEN1 3610/4885ALDH1A1 968/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 KMT2A 2953/4885MEN1 1785/4885ALDH1A1 1104/4885
US-20200131140-A1 CONTROLLED CYCLIZATION OF PEPTOIDS TO FORM CHIRAL DIKETOPIPERAZINES NPPA, NPEPPS, RRP15 KMT2A 2599/4885MEN1 3212/4885ALDH1A1 4849/4885
US-20090143377-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 KMT2A 4200/4885MEN1 3610/4885ALDH1A1 968/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 KMT2A 2953/4885MEN1 1785/4885ALDH1A1 1104/4885
US-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B KMT2A 4698/4885MEN1 4463/4885ALDH1A1 2222/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 KMT2A 2755/4885MEN1 903/4885ALDH1A1 1477/4885

“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.