SCHEMBL100727

SCHEMBL100727

O=C(O)c1cc(Br)ccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 1.00
ALDH1A1 P00352 4/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
KDM5A P29375 2/20 0.61
KDM3A Q9Y4C1 2/20 0.61
KDM4A O75164 2/20 0.61
KDM5C P41229 2/20 0.61
KDM5B Q9UGL1 2/20 0.61
KDM6B O15054 1/20 0.61
TET3 O43151 1/20 0.61
BBOX1 O75936 1/20 0.61
MAPT P10636 1/20 0.61
ASPH Q12797 1/20 0.61
KDM4D Q6B0I6 1/20 0.61
TET2 Q6N021 1/20 0.61
ALKBH5 Q6P6C2 1/20 0.61
KDM7A Q6ZMT4 1/20 0.61
KDM8 Q8N371 1/20 0.61
TET1 Q8NFU7 1/20 0.61
EGLN2 Q96KS0 1/20 0.61

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
Hydrochloric Acid SCHEMBL11679600 0.98 KDM4E (0.96) KDM4EALDH1A1SMN1; SMN2KDM5AKDM3A
SCHEMBL5700497 0.81 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2KDM5AKDM3A
SCHEMBL29478760 0.81 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2KDM5AKDM3A
SCHEMBL7436876 0.81 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2KDM5AKDM3A
SCHEMBL30141515 0.81 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2KDM5AKDM3A
SCHEMBL31514843 0.81 ALDH1A1 (0.68) KDM4EALDH1A1SMN1; SMN2KDM5AKDM3A
SCHEMBL786245 0.81 KDM4E (0.68) KDM4EALDH1A1SMN1; SMN2KDM5AKDM3A
SCHEMBL7513922 0.79 KMO (0.71) KDM4EALDH1A1SMN1; SMN2KDM5AKDM3A
SCHEMBL30800092 0.79 KMO (0.71) KDM4EALDH1A1SMN1; SMN2KDM5AKDM3A
SCHEMBL13188319 0.79 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2KDM5AKDM3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109503553-B Light affinity probe molecule based on VEGFR-2 inhibitor B14 and preparation method thereof 西安交通大学 2020-08-28 CN claimed
CN-109503553-A A kind of light Affinity Probes molecule and preparation method thereof based on VEGFR-2 inhibitor B14 西安交通大学 2019-03-22 CN claimed
CN-108752270-A A kind of 4- bromo-2-pyridyl amides compounds of the ether structure containing hexichol 湖南博隽生物医药有限公司 2018-11-06 CN claimed
CN-108516953-A A kind of synthetic method of 2- pyridine carboxaldehydes derivative 天津全和诚科技有限责任公司 2018-09-11 CN claimed
CN-104817493-A Aromatic heterocyclic amide substituted diarylurea compound, preparation method and application thereof UNIV XI AN JIAOTONG 2015-08-05 CN claimed
CN-102977012-B Synthesis method of methyl 4-bromopyridyl-2-formate CHEMFUTURE PHARMATECH JIANGSU LTD 2015-06-03 CN claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
EP-3364967-B1 FERROPORTIN INHIBITORS VIFOR INT AG (CH) 2026-05-20 EP disclosed
US-20260078113-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORP (US) 2026-03-19 US disclosed
EP-4702025-A1 BICYCLIC HETEROCYCLE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2026-03-04 EP disclosed
EP-4676926-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2026-01-14 EP disclosed
US-12514858-B2 CD38 inhibitors Astellas Engineered Small Molecules US, Incorporated (US) 2026-01-06 US disclosed
CN-1023479-C Process for preparing monoamide derivatives of ethylenediamine HOFFMANN LA ROCHE (CH) 1994-01-12 CN disclosed
US-4764522-A ANTIDEPRESSANT, ANTIPARKINSON DISEASE HOFFMANN-LA ROCHE INC. (US) 1988-08-16 US disclosed
CN-85107182-A Process for preparing monoamide derivatives of ethylenediamine 1987-04-08 CN disclosed
EP-0053789-B1 2-PYRIDINECARBOXAMIDE DERIVATIVE, PROCESS FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITION, USEFUL AS AN ANTI-ALLERGIC AGENT Tanabe Seiyaku Co., Ltd. (JP) 1985-03-27 EP disclosed
US-4404214-A 2-Pyridinecarboxamide derivatives compositions containing same and method of using same TANABE SEIYAKU CO., LTD. (JP) 1983-09-13 US disclosed
EP-0053789-A1 2-Pyridinecarboxamide derivative, process for preparing same and pharmaceutical composition, useful as an anti-allergic agent Tanabe Seiyaku Co., Ltd. (JP) 1982-06-16 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 (2 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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 KDM4E 3048/4885ALDH1A1 834/4885SMN1; SMN2 4144/4885
US-20260078113-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS MSR1, NR3C1, CCR1 KDM4E 4270/4885ALDH1A1 868/4885SMN1; SMN2 3526/4885

“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.