SCHEMBL20488495

SCHEMBL20488495

CCOc1ccc(OC)c(CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.47
IDO1 P14902 2/20 0.46
ADRA1A P35348 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
NQO1 P15559 1/20 0.45
HIF1A Q16665 1/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44

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
SCHEMBL28029625 0.89 KDM4E (0.49) NQO1TSHRKMT2AHSD17B10ALDH1A1
SCHEMBL20489173 0.86 MTNR1A (0.52) HTR2AIDO1ADRA1ATAAR1LMNA
SCHEMBL1264360 0.85 HTR2A (0.62) HTR2AIDO1ADRA1ATAAR1KMT2A
SCHEMBL16959703 0.82 HSD17B10 (0.47) HTR2AIDO1ADRA1ATAAR1NQO1
SCHEMBL17223668 0.80 HTR2A (0.43) HTR2AIDO1ADRA1ATAAR1LMNA
SCHEMBL3219429 0.79 MAOB (0.55) LMNAALDH1A1MAPT
SCHEMBL9715643 0.79 CA2 (0.64) NQO1HIF1ALMNATSHRHTT
SCHEMBL24133364 0.78 NQO1 (0.48) NQO1TSHRKMT2AHSD17B10ALDH1A1
SCHEMBL2292626 0.78 NQO1 (0.48) NQO1TSHRKMT2AHSD17B10ALDH1A1
SCHEMBL19612211 0.77 KDM4E (0.61) NQO1HIF1ALMNATSHRHTT

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
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
CN-110573509-B MLKL inhibitors 北京生命科学研究所 2023-05-26 CN disclosed
CN-110573509-A MLKL inhibitors 北京生命科学研究所 2019-12-13 CN disclosed
WO-2018157800-A1 MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-09-07 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 (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-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 HTR2A 4428/4885IDO1 3817/4885ADRA1A 4668/4885

“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.