SCHEMBL21634036

SCHEMBL21634036

O=[N+]([O-])c1ccc(OCC2CCOC2)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.42
MCHR1 Q99705 2/20 0.40
MAPT P10636 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BRD4 O60885 1/20 0.37
XDH P47989 4/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD4 P21917 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
TTR P02766 1/20 0.36
PDE4B Q07343 1/20 0.35
NPBWR1 P48145 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
SCHEMBL16651877 0.86 CYP19A1 (0.50) CYP19A1MCHR1MAPTSIGMAR1ALDH1A1
SCHEMBL30127491 0.85 MAPT (0.46) CYP19A1MAPTALDH1A1KMT2ALMNA
SCHEMBL21295535 0.80 CYP19A1 (0.45) CYP19A1MAPTSIGMAR1ALDH1A1MEN1
SCHEMBL30126576 0.79 SIGMAR1 (0.58) MAPTSIGMAR1ALDH1A1XDHL3MBTL1
SCHEMBL21652826 0.78 MCHR1 (0.49) MCHR1BRD4XDHIRAK4
SCHEMBL21652799 0.78 CYP1A2 (0.43) MCHR1MAPTALDH1A1BRD4IRAK4
SCHEMBL29915641 0.78 MCHR1 (0.49) MCHR1BRD4XDHIRAK4
SCHEMBL21633961 0.78 MCHR1 (0.43) MCHR1BRD4XDHIRAK4
SCHEMBL15260163 0.78 DRD4 (0.47) MAPTALDH1A1KMT2AL3MBTL1DRD4
SCHEMBL23436644 0.78 MCHR1 (0.41) MCHR1BRD4XDHIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-07-09 US disclosed
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-07-09 US disclosed
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-07-09 US disclosed
CN-115716827-A Iminosulfones compound as bromodomain protein inhibitor, pharmaceutical composition and medical application thereof 正大天晴药业集团股份有限公司 2023-02-28 CN disclosed
CN-112424200-B Iminosulfones compound as bromodomain protein inhibitor, pharmaceutical composition and medical application thereof 正大天晴药业集团股份有限公司 2022-09-20 CN disclosed
US-20210300923-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-09-30 US disclosed
US-20210300923-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2021-09-30 US disclosed
EP-3828183-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-06-02 EP disclosed
CN-112424200-A Iminosulfones compound as bromodomain protein inhibitor, pharmaceutical composition and medical application thereof 正大天晴药业集团股份有限公司 2021-02-26 CN disclosed
WO-2020020288-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2020-01-30 WO disclosed
WO-2020020288-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF 正大天晴药业集团股份有限公司 2020-01-30 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 (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-20210300923-A1 SULFOXIMINE COMPOUND AS BROMODOMAIN PROTEIN INHIBITOR AND PHARMACEUTICAL COMPOSITION AND MEDICAL USE THEREOF BRD1, BRD4, BRD2 CYP19A1 3911/4885MCHR1 4755/4885MAPT 1973/4885
US-12030880-B2 Iminosulfanone compound as bromodomain protein inhibitor and pharmaceutical composition and medical use thereof BRD4, BRD1, BRD3 CYP19A1 3252/4885MCHR1 4707/4885MAPT 1460/4885

“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.