SCHEMBL473832

SCHEMBL473832

N#Cc1cc(B(O)O)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.47
TTR P02766 3/20 0.46
VCAM1 P19320 1/20 0.44
TRPV4 Q9HBA0 1/20 0.38
GRM4 Q14833 1/20 0.38
SLC22A12 Q96S37 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
IDO1 P14902 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35

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
SCHEMBL29955494 1.00 ENPP2 (0.47) ENPP2TTRVCAM1TRPV4GRM4
SCHEMBL14120471 0.84 TRPV4 (0.52) ENPP2TTRTRPV4IDO1
SCHEMBL15156401 0.81 ENPP2 (0.52) ENPP2TTRCA1CA2
SCHEMBL13139989 0.78 ENPP2 (0.48) ENPP2TTRCA1CA2
SCHEMBL247641 0.76 ENPP2 (0.47) ENPP2TRPV4GRM4CA1CA2
SCHEMBL28448827 0.76 ENPP2 (0.47) ENPP2TTRCA1CA2
SCHEMBL585744 0.76 ENPP2 (0.47) ENPP2TTRCA1CA2
SCHEMBL22683618 0.73 ENPP2 (0.48) ENPP2TTRCA1CA2
SCHEMBL29955038 0.73 ENPP2 (0.48) ENPP2TTRCA1CA2
SCHEMBL130450 0.73 TTR (0.61) ENPP2TTRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12150934-B2 Methods of using substituted pyrazole and pyrazole compounds and for treatment of hyperproliferative diseases BANTAM PHARMACEUTICAL, LLC (US) 2024-11-26 US disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 WO disclosed
CN-112789272-B Compound and organic light emitting device comprising the same 株式会社LG化学 2023-09-26 CN disclosed
CN-116693414-A Compound with 3CL protease inhibition activity and application thereof 深圳市小分子新药创新中心有限公司 2023-09-05 CN disclosed
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-05 US disclosed
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-05 US disclosed
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-06-22 US disclosed
US-11634391-B2 Compounds which are inhibitors of Notum UCL BUSINESS LTD (GB) 2023-04-25 US disclosed
US-11602526-B2 Substituted pyrazole and pyrrole compounds and methods for using them for inhibition of initiation of translation and treatment of diseases and disorders relating thereto BANTAM PHARMACEUTICAL, LLC (US) 2023-03-14 US disclosed
WO-2010115264-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 WO disclosed
US-20100261714-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US disclosed
WO-2010108903-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 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 (11 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-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 ENPP2 3384/4885TTR 731/4885VCAM1 867/4885
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 ENPP2 4461/4885TTR 4675/4885VCAM1 4404/4885
US-11746093-B2 Nitrogen-containing compound, electronic element, and electronic device SLC43A1, SLC7A5, L1CAM ENPP2 1667/4885TTR 1547/4885VCAM1 1349/4885
US-11634391-B2 Compounds which are inhibitors of Notum NOTUM, GOT2, GOT1 ENPP2 371/4885TTR 3897/4885VCAM1 1747/4885
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R ENPP2 3175/4885TTR 1022/4885VCAM1 2395/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 ENPP2 4424/4885TTR 4661/4885VCAM1 4413/4885
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 ENPP2 1679/4885TTR 4823/4885VCAM1 2231/4885
US-20100261714-A1 INHIBITORS OF HIV REPLICATION RTF2, POLR1A, REV1 ENPP2 3362/4885TTR 4766/4885VCAM1 1525/4885
US-20230192627-A1 NITROGEN-CONTAINING COMPOUND, ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE SLC43A1, SLC7A5, L1CAM ENPP2 1667/4885TTR 1547/4885VCAM1 1349/4885
US-12150934-B2 Methods of using substituted pyrazole and pyrazole compounds and for treatment of hyperproliferative diseases KRAS, TP53, CCNA1 ENPP2 2429/4885TTR 4043/4885VCAM1 4132/4885
US-11602526-B2 Substituted pyrazole and pyrrole compounds and methods for using them for inhibition of initiation of translation and treatment of diseases and disorders relating thereto EIF4A1, EIF4A3, EIF4B ENPP2 4094/4885TTR 1110/4885VCAM1 4653/4885

“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.