SCHEMBL398923

SCHEMBL398923

O=C(O)c1ncccc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
ALDH1A1 P00352 4/20 0.61
MAPT P10636 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61
AGER Q15109 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
CYP1A2 P05177 1/20 0.53
MYC P01106 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
CDK9 P50750 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
NAPRT Q6XQN6 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
P4HTM Q9NXG6 1/20 0.43

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 SCHEMBL27877482 0.98 KDM4E (0.59) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL8866011 0.84 KDM4E (0.47) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL9956653 0.81 KDM4E (0.44) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL518833 0.81 KDM4E (0.44) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL29543454 0.81 ALDH1A1 (0.45) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL5313640 0.81 ALDH1A1 (0.45) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL78249 0.80 KDM4E (0.63) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL31356480 0.80 KDM4E (0.63) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
SCHEMBL15312235 0.80 KDM4E (0.63) KDM4EALDH1A1MAPTL3MBTL1CYP3A4
Silver SCHEMBL28907852 0.79 KDM4E (0.42) KDM4EALDH1A1MAPTL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117247372-A Preparation method of oxindole compound 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2023-12-19 CN claimed
CN-116655526-B Method for synthesizing 3-bromo-2- (bromomethyl) pyridine 济南泺合医药技术有限公司 2023-09-26 CN claimed
CN-116655526-A Method for synthesizing 3-bromo-2- (bromomethyl) pyridine 济南泺合医药技术有限公司 2023-08-29 CN claimed
CN-110204484-B The method comprises the following steps of 18 F-labeled fluoropyridine formylglycine, and preparation method and application thereof 山西医科大学第一医院 2023-07-21 CN claimed
CN-103201276-B Indole derivatives RICHTER GEDEON NYRT 2015-02-25 CN claimed
CN-103201276-A Indole derivatives RICHTER GEDEON NYRT 2013-07-10 CN claimed
EP-2456763-A1 OXAZINE DERIVATIVES AND THEIR USE AS BACE INHIBITORS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Novartis AG (CH) 2012-05-30 EP claimed
EP-2121635-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-25 EP claimed
WO-2008078196-A2 SUBSTITUTED HETEROARYL PYRIDOPYRIMIDONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 WO claimed
EP-1781339-A1 COMPOUNDS OF THE INVENTIONS OF GUANYLYL CYCLASE C THOMAS JEFFERSON UNIVERSITY (US) 2007-05-09 EP claimed
WO-2006012264-A1 COMPOUNDS OF THE INVENTIONS OF GUANYLYL CYCLASE C THOMAS JEFFERSON UNIVERSITY (US) 2006-02-02 WO claimed
US-20050287067-A1 Compounds of the inventions of guanylyl cyclase C THOMAS JEFFERSON UNIVERSITY 2005-12-29 US claimed
US-20260132127-A1 NOVEL SPIRO COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2026-05-14 US disclosed
EP-4635949-A1 SUBSTITUTED TETRAHYDROCYCLOPENTYL[C]PYRROLE DERIVATIVE, PREPARATION METHOD, INTERMEDIATE AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2025-10-22 EP disclosed
WO-2025215558-A1 COMPOUNDS FOR SPLICING MODULATION FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2025-10-16 WO disclosed
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2025-08-05 US disclosed
US-4104274-A 1-Substituted-2-(2-pyridinyl)ethanone N-oxides WARNER-LAMBERT COMPANY (US) 1978-08-01 US disclosed
US-4076720-A 1-Substituted-2-(2-pyridinyl)ethanone N-oxides WARNER-LAMBERT COMPANY (US) 1978-02-28 US disclosed
US-4056619-A 1-Substituted-2-(2-pyridinyl)ethanone N-oxides WARNER-LAMBERT COMPANY (US) 1977-11-01 US disclosed
US-3963733-A 3-(P-methoxybenzylthio)2-non-oxocarbonylic pyridines SMITHKLINE CORPORATION (US) 1976-06-15 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 (3 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-20050287067-A1 Compounds of the inventions of guanylyl cyclase C GUCY1B2, GUCY1A1, GUCY1A2 KDM4E 2886/4885ALDH1A1 1143/4885MAPT 4512/4885
US-12378254-B2 Disubstituted octahydropyrrolo[3,4-c]pyrroles as orexin receptor modulators HCRTR2, HCRTR1, OXTR KDM4E 454/4885ALDH1A1 3132/4885MAPT 785/4885
US-20260132127-A1 NOVEL SPIRO COMPOUND TRHR, NR3C2, THRB KDM4E 4548/4885ALDH1A1 1063/4885MAPT 4802/4885

“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.