SCHEMBL4135591

SCHEMBL4135591

Cc1cncc(-c2cccs2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.56
CYP2E1 P05181 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2B6 P20813 1/20 0.56
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
CHRNB1 P11230 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNB3 Q05901 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
NFKB1 P19838 3/20 0.42
NFKB2 Q00653 3/20 0.42
RELA Q04206 3/20 0.42
SMN1; SMN2 Q16637 2/20 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
SCHEMBL1357023 0.86 CYP2A6 (0.67) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL10345806 0.78 KCNH2 (0.48) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL12608111 0.78 CYP2A6 (0.56) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL4135586 0.78 CYP2C9 (0.56) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL26387047 0.78 CYP2E1 (0.56) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL30613331 0.78 CYP2A6 (0.56) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL7423578 0.78 CYP3A4 (0.56) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL12608100 0.78 CYP2E1 (0.56) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL13990516 0.77 CYP2E1 (0.51) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL13990819 0.77 CYP3A4 (0.51) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212095-A1 MOLECULES THAT ENHANCE EXTRACELLULAR VESICLE RELEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-11-02 WO disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-8283367-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2012-10-09 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-7999132-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-08-16 US disclosed
US-7999132-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2011-08-16 US disclosed
US-RE41425-E1 used for the treatment of affective disorders or diseases of the central nervous system caused by disturbances in either the dopaminergic or serotinergic systems, such as schizophrenia DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2010-07-06 US disclosed
US-RE41425-E1 used for the treatment of affective disorders or diseases of the central nervous system caused by disturbances in either the dopaminergic or serotinergic systems, such as schizophrenia DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2010-07-06 US disclosed
US-20090240052-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-09-24 US disclosed
US-20090240052-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-09-24 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed
US-20090075936-A1 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2009-03-19 US disclosed
EP-2022793-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-02-11 EP disclosed
US-7468383-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2008-12-23 US 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-20090240052-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP26, MMP11 CYP2A6 257/4885CYP2E1 1173/4885CYP3A4 1614/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 CYP2A6 749/4885CYP2E1 1611/4885CYP3A4 1411/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 CYP2A6 722/4885CYP2E1 1351/4885CYP3A4 1362/4885
US-20090075936-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 CYP2A6 2428/4885CYP2E1 3839/4885CYP3A4 4017/4885

“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.