SCHEMBL5200121

SCHEMBL5200121

NC(=O)Oc1cccc(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
GRM5 P41594 1/20 0.34
PARP1 P09874 3/20 0.33
KDM1A O60341 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
NNMT P40261 2/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
PIM1 P11309 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL10768300 0.86 MEN1 (0.52) MEN1KMT2AALDH1A1PARP1F2
SCHEMBL248107 0.82 HTR7 (0.42) HTR7ALDH1A1HPGDGRM5KDM1A
SCHEMBL29089194 0.81 HTR7 (0.39) MEN1KMT2AHTR7ALDH1A1HPGD
SCHEMBL8772213 0.81 HTR7 (0.41) HTR7ALDH1A1HPGDGRM5KDM1A
SCHEMBL21115271 0.81 MEN1 (0.44) MEN1KMT2APARP1
SCHEMBL1679713 0.79 HTR7 (0.40) MEN1KMT2AHTR7ALDH1A1HPGD
SCHEMBL20557225 0.78 MEN1 (0.45) MEN1KMT2APARP1NNMTF2
SCHEMBL28677153 0.77 ALDH1A1 (0.46) MEN1KMT2AALDH1A1HPGDGRM5
SCHEMBL1556100 0.77 HTR7 (0.49) MEN1KMT2AHTR7ALDH1A1
SCHEMBL1400662 0.77 ALDH1A1 (0.46) HTR7ALDH1A1HPGDGRM5MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118239953-A Compounds for the treatment of PI3K gamma mediated diseases and uses thereof 中国科学院合肥物质科学研究院 2024-06-25 CN disclosed
CN-117940406-A MAP4K1 inhibitors 缆图药品公司 2024-04-26 CN disclosed
WO-2023222124-A1 5,6-DIHYDRO-1,2,4-TRIAZINE COMPOUND AND PHARMACEUTICAL USE THEREOF AS GLP-1 RECEPTOR AGONIST 中国科学院上海药物研究所 2023-11-23 WO disclosed
EP-4229050-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2023-08-23 EP disclosed
CN-116547279-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-08-04 CN disclosed
CN-116438182-A 7-azaindole compounds for inhibiting BCR-ABL tyrosine kinase 活力疗法公司 2023-07-14 CN disclosed
CN-116217548-A Amide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-06 CN disclosed
CN-110818683-B 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2023-04-14 CN disclosed
US-20230078941-A1 NOVEL AMINO ARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR AND USE THEREOF LG CHEM, LTD. (KR) 2023-03-16 US disclosed
CN-115521297-A 5,6-dihydro-1,2,4-triazines and their pharmaceutical use as GLP-1 receptor agonists 中国科学院上海药物研究所 2022-12-27 CN disclosed
CN-113727975-A Substituted pyrrolopyridines as JAK inhibitors 阿克拉瑞斯治疗股份有限公司 2021-11-30 CN disclosed
CN-113226464-A N- (pyridin-2-ylsulfonyl) cyclopropanecarboxamide derivatives and their use in the treatment of CFTR mediated diseases 诺华股份有限公司 2021-08-06 CN disclosed
WO-2021133035-A1 NOVEL AMINO ARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR AND USE THEREOF 주식회사 엘지화학 2021-07-01 WO disclosed
US-10815227-B2 Processes for the preparation of filgotinib CADILA HEALTHCARE LIMITED (IN) 2020-10-27 US disclosed
US-20200062744-A1 PROCESSES FOR THE PREPARATION OF FILGOTINIB CADILA HEALTHCARE LIMITED (IN) 2020-02-27 US disclosed
CN-110818683-A 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof 中国科学院上海药物研究所 2020-02-21 CN disclosed
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 WO disclosed
EP-1638964-A1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-03-29 EP disclosed
WO-2004113331-A1 NOVEL COMPOUNDS THAT MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-29 WO 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-10815227-B2 Processes for the preparation of filgotinib ABL1, FER, FLNA MEN1 1320/4885KMT2A 3623/4885HTR7 4330/4885
US-20200062744-A1 PROCESSES FOR THE PREPARATION OF FILGOTINIB ABL1, FER, FLNA MEN1 1320/4885KMT2A 3623/4885HTR7 4330/4885
US-20230078941-A1 NOVEL AMINO ARYL DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR AND USE THEREOF DGAT2, DGAT1, PLAAT2 MEN1 4725/4885KMT2A 421/4885HTR7 1534/4885

“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.