SCHEMBL22947629

SCHEMBL22947629

Cc1ccc(S2(c3ccc(C)cc3)c3ccccc3-c3ccc(Br)cc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPRC P08575 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.34
ELANE P08246 1/20 0.34
MAOB P27338 1/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
MAPT P10636 1/20 0.33
C3AR1 Q16581 1/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
AHR P35869 1/20 0.32
GPR3 P46089 1/20 0.31

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
SCHEMBL22947441 0.91 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL22961173 0.90 ALDH1A1 (0.39) ALDH1A1MEN1KMT2APTPRCKDM4E
SCHEMBL11984775 0.88 PTPRC (0.40) ALDH1A1PTPRCMAPK1CA12CA9
SCHEMBL17451613 0.86 CA12 (0.41) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL21123265 0.82 PTPRC (0.39) ALDH1A1PTPRCMAPK1CA9MAPT
SCHEMBL19010951 0.81 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL22947536 0.79 CYP2A6 (0.50) ALDH1A1MEN1KMT2APTPRCKDM4E
SCHEMBL26017216 0.77 PTPRC (0.40) ALDH1A1PTPRCMAPK1CA12CA9
SCHEMBL22947482 0.77 TNKS2 (0.38) ALDH1A1MEN1KMT2AMAOBCA12
SCHEMBL22947628 0.77 PDK2 (0.36) ALDH1A1MEN1KMT2AKDM4EHSD17B10

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-20210036245-A1 HETEROAROMATIC COMPOUNDS MERCK PATENT GMBH (DE) 2021-02-04 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-20210036245-A1 HETEROAROMATIC COMPOUNDS ETV6, FES, LEF1 ALDH1A1 752/4885MEN1 2439/4885KMT2A 2115/4885

“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.