SCHEMBL21190884

SCHEMBL21190884

CNS(=O)(=O)c1ccc(Oc2ccc(F)cc2)c(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A4 P31645 3/20 0.41
SLC22A12 Q96S37 7/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39
MAPK1 P28482 1/20 0.39
HSPB1 P04792 1/20 0.38
PLA2G7 Q13093 1/20 0.37
ALDH3A1 P30838 1/20 0.37
SOS1 Q07889 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36

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
SCHEMBL29814304 1.00 BRD4 (0.44) BRD4LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL24631223 0.89 SLC22A12 (0.41) BRD4LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL24631261 0.89 CA12 (0.44) LMNAHTTSMN1; SMN2SLC6A4SLC22A12
SCHEMBL24631314 0.88 LMNA (0.41) BRD4LMNAHTTSMN1; SMN2SLC6A4
SCHEMBL24631257 0.88 LIPE (0.43) LMNAHTTSMN1; SMN2SLC6A4SLC6A2
SCHEMBL24631229 0.86 LMNA (0.41) LMNAHTTSMN1; SMN2SLC6A4SLC6A2
SCHEMBL15535444 0.82 L3MBTL1 (0.41) LMNAHTTSMN1; SMN2
SCHEMBL22747087 0.81 MAPT (0.42) BRD4SLC6A4HTR2AKCNH2
SCHEMBL21190882 0.80 BRD4 (0.44) BRD4SLC6A4SLC6A2SLC6A3PLA2G7
SCHEMBL24631129 0.79 CA1 (0.40) LMNAHTTSMN1; SMN2MAPK1ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022177869-A1 ARYL ETHER COMPOUNDS AS TEAD MODULATORS MERCK SHARP & DOHME LLC (US) 2022-08-25 WO disclosed
EP-3741758-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2020-11-25 EP disclosed
US-20200354371-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-11-12 US disclosed
WO-2019141131-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF 中国科学院上海药物研究所 2019-07-25 WO disclosed
US-9359548-B2 Organic electroluminescent device UDC IRELAND LIMITED (IE) 2016-06-07 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 (1 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-20200354371-A1 BROMODOMAIN INHIBITOR COMPOUND AND USE THEREOF BRD4, BRD1, BRD3 BRD4 1/4885LMNA 2795/4885HTT 1954/4885

“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.