SCHEMBL21487005

SCHEMBL21487005

C[S+]([O-])c1cc(N)c(O)c(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
TTR P02766 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL25106841 0.80 CYP3A4 (0.30) CYP3A4TSHRTDP1
SCHEMBL21487341 0.72 GPR35 (0.46) TDP1ALDH1A1KDM4EMAPTTTR
SCHEMBL17744522 0.69 ALDH1A1 (0.60) CYP3A4TSHRTDP1ALDH1A1KDM4E
SCHEMBL18834055 0.68 ALOX15 (0.46) GAAALOX15ALOX12
SCHEMBL17231836 0.68 ALDH1A1 (0.48) CYP3A4TSHRTDP1ALDH1A1KDM4E
SCHEMBL21695780 0.68 GAA (0.50) CYP3A4TSHRTDP1ALDH1A1KDM4E
SCHEMBL270714 0.68 CYP3A4 (0.50) CYP3A4TSHRTDP1ALDH1A1MAPT
SCHEMBL7724850 0.68 CYP3A4 (0.65) CYP3A4TSHRTDP1ALDH1A1KDM4E
SCHEMBL11839854 0.66
SCHEMBL30774846 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12239643-B2 Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases MEIJI SEIKA PHARMA CO., LTD. (JP) 2025-03-04 US disclosed
EP-4218766-A1 1H-PYRROLO[2,3-C]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-C]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS Incyte Holdings Corporation (US) 2023-08-02 EP disclosed
EP-3674302-B1 1H-PYRROLO[2,3-C]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-C]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS INCYTE HOLDINGS CORP (US) 2023-03-01 EP disclosed
CN-110114358-B Novel compound and pharmacologically acceptable salt thereof 明治制果药业株式会社 2021-12-03 CN disclosed
US-20210315892-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-10-14 US disclosed
EP-3560925-B1 NOVEL COMPOUND AND PHARMACEUTICALLY-ACCEPTABLE SALT THEREOF MEIJI SEIKA PHARMA CO LTD (JP) 2021-06-02 EP disclosed
EP-3815687-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES Meiji Seika Pharma Co., Ltd. (JP) 2021-05-05 EP disclosed
CN-112312914-A Therapeutic agent for inflammatory disease, autoimmune disease, fibrotic disease, and cancer disease 明治制果药业株式会社 2021-02-02 CN disclosed
EP-3674302-A1 1H-PYRROLO[2,3-C]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-C]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS Incyte Corporation (US) 2020-07-01 EP disclosed
US-10669283-B2 Compound and pharmacologically acceptable salt thereof MEIJI SEIKA PHARMA CO., LTD. (JP) 2020-06-02 US disclosed
EP-3134403-B1 1H-PYRROLO[2,3-C]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-C]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS INCYTE CORP (US) 2020-02-12 EP disclosed
WO-2020004521-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES Meiji Seikaファルマ株式会社 2020-01-02 WO disclosed
EP-3560925-A1 NOVEL COMPOUND AND PHARMACEUTICALLY-ACCEPTABLE SALT THEREOF Meiji Seika Pharma Co., Ltd. (JP) 2019-10-30 EP disclosed
US-20190322686-A1 NOVEL COMPOUND AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF MEIJI SEIKA PHARMA CO., LTD. (JP) 2019-10-24 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-20190322686-A1 NOVEL COMPOUND AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF REN, CYP11B1, CYP11B2 CYP3A4 123/4885TSHR 1710/4885TDP1 4735/4885
US-10669283-B2 Compound and pharmacologically acceptable salt thereof REN, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B2 CYP3A4 55/4885TSHR 1411/4885TDP1 4682/4885
US-20210315892-A1 THERAPEUTIC AGENT FOR INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, FIBROTIC DISEASES, AND CANCER DISEASES CCR1, SSB, C5 CYP3A4 2270/4885TSHR 1153/4885TDP1 4442/4885
US-12239643-B2 Therapeutic agent for inflammatory diseases, autoimmune diseases, fibrotic diseases, and cancer diseases CCR1, SSB, C5 CYP3A4 2270/4885TSHR 1153/4885TDP1 4442/4885

“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.