SCHEMBL21367044

SCHEMBL21367044

COC(=O)c1c[nH]cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 5/20 0.45
CREBBP Q92793 1/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
SLC6A3 Q01959 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CFTR P13569 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SOS1 Q07889 1/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA9 Q16790 3/20 0.39
CA5A P35218 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL11933614 0.86 MAPT (0.43) NR4A2CREBBPTSHRLMNAKDM4E
SCHEMBL69740 0.84 NR4A2 (0.48) NR4A2CREBBPTSHRLMNAKDM4E
SCHEMBL3563589 0.77 MAPT (0.55) NR4A2CREBBPTSHRLMNAKDM4E
SCHEMBL1155989 0.76 NOTUM (0.58) NR4A2CREBBPTSHRLMNAKDM4E
SCHEMBL261551 0.76 NOTUM (0.52) NR4A2CREBBPTSHRLMNAKDM4E
SCHEMBL2315360 0.75 NR4A2 (0.46) NR4A2CREBBPKDM4EGLAGAA
SCHEMBL30738969 0.75 NR4A2 (0.50) NR4A2CREBBPKDM4EGLAGAA
SCHEMBL23051540 0.75 SOS1 (0.50) NR4A2TSHRLMNAKDM4EGLA
SCHEMBL197110 0.75 SOS1 (0.50) NR4A2TSHRLMNAKDM4EGLA
SCHEMBL9549453 0.74 KDM4E (0.50) NR4A2CREBBPTSHRLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12215116-B2 Arginase inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-02-04 US disclosed
CN-114222802-A Narrow emission dyes, compositions comprising the same, and methods of making and using the same 尼尔瓦纳科学股份有限公司 2022-03-22 CN disclosed
US-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-02-11 US disclosed
US-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-02-11 US disclosed
WO-2020245291-A1 PYRROLE DERIVATIVES AS ACC INHIBITORS ALMIRALL, S.A. (ES) 2020-12-10 WO disclosed
WO-2020236828-A1 NARROW EMISSION DYES, COMPOSITIONS COMPRISING SAME, AND METHODS FOR MAKING AND USING SAME NIRVANA SCIENCES INC. (US) 2020-11-26 WO disclosed
WO-2019177873-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2019-09-19 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-20210040127-A1 ARGINASE INHIBITORS AND METHODS OF USE ARG1, ARG2, PRMT1 NR4A2 2187/4885CREBBP 2222/4885TSHR 2028/4885
US-12215116-B2 Arginase inhibitors and methods of use ARG1, ARG2, PRMT1 NR4A2 2187/4885CREBBP 2222/4885TSHR 2028/4885

“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.