SCHEMBL21458096

SCHEMBL21458096

O=C(OC[C@H]1CC[C@@H]1C=C(Br)Br)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA5 P30532 1/20 0.45
CHRNA7 P36544 1/20 0.45
CHRNA4 P43681 1/20 0.45
TDP1 Q9NUW8 2/20 0.41
CES2 O00748 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ATM Q13315 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 2/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL31303686 0.87 PPM1B (0.52) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL21458051 0.85 CHRNB2 (0.49) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL19284970 0.85 CHRNB2 (0.49) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL23688029 0.85 CHRNB2 (0.49) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL22230562 0.85 CHRNB2 (0.49) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL13479230 0.77 CHRNB2 (0.50) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL21458031 0.76 CHRNB2 (0.51) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL21458033 0.76 CHRNB2 (0.51) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL21458055 0.76 CHRNB2 (0.51) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL13286850 0.75 PPM1B (0.56) PPM1BCHRNB2CHRNA5CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS, LTD. (CH) 2019-10-17 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-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES TMBIM6, BTN3A1, BET1 PPM1B 2358/4885CHRNB2 4778/4885CHRNA5 4720/4885

“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.