SCHEMBL22439136

SCHEMBL22439136

ON=C1COc2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
AHR P35869 3/20 0.36
APP P05067 4/20 0.35
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
PKM P14618 1/20 0.34
NPR1 P16066 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ESRRB O95718 1/20 0.32
ESRRA P11474 1/20 0.32
CYP19A1 P11511 1/20 0.32
PBRM1 Q86U86 1/20 0.32
HTR2B P41595 1/20 0.32
NR3C1 P04150 1/20 0.32
PGR P06401 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
SCHEMBL22439135 1.00 BLM (0.38) BLMHTTLMNAMAPTAHR
SCHEMBL22439195 0.86 APP (0.44) BLMHTTLMNAMAPTAHR
SCHEMBL22439193 0.86 APP (0.44) BLMHTTLMNAMAPTAHR
SCHEMBL30601579 0.86 APP (0.44) BLMHTTLMNAMAPTAHR
SCHEMBL2067965 0.83 MAPT (0.43) BLMHTTLMNAMAPTAHR
SCHEMBL2067967 0.83 MAPT (0.43) BLMHTTLMNAMAPTAHR
SCHEMBL15405445 0.83 MAPT (0.43) BLMHTTLMNAMAPTAHR
SCHEMBL31027125 0.83 MAPT (0.43) BLMHTTLMNAMAPTAHR
SCHEMBL1922856 0.79 MAOB (0.36)
SCHEMBL22868114 0.79 CYP19A1 (0.39) HTTTP53CYP1A2PKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770211-B Alpha, beta unsaturated amide compound 协和麒麟株式会社 2023-09-19 CN disclosed
US-11447471-B2 α,β-unsaturated amide compound KYOWA KIRIN CO., LTD. (JP) 2022-09-20 US disclosed
US-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND KYOWA KIRIN CO., LTD. (JP) 2021-05-27 US disclosed
EP-3712129-A1 ALPHA, BETA-UNSATURATED AMIDE COMPOUND Kyowa Kirin Co., Ltd. (JP) 2020-09-23 EP 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-20210155612-A1 Alpha,Beta-UNSATURATED AMIDE COMPOUND NR1H2, NR1H3, RXRA BLM 3596/4885HTT 3570/4885LMNA 1763/4885
US-11447471-B2 α,β-unsaturated amide compound NR1H2, RXRA, RXRB BLM 3643/4885HTT 3461/4885LMNA 1918/4885

“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.