SCHEMBL20176165

SCHEMBL20176165

Brc1ccc2c(cnn2PI)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.39
KMO O15229 1/20 0.35
NOS1 P29475 2/20 0.34
METAP2 P50579 2/20 0.34
CSNK2A1 P68400 1/20 0.34
MCL1 Q07820 1/20 0.33
CYP2A6 P11509 1/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
ROCK1 Q13464 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
BACE1 P56817 1/20 0.31
DYRK1A Q13627 1/20 0.31
CYP19A1 P11511 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 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
SCHEMBL20437600 0.86 KMO (0.44) HDAC8KMONOS1METAP2CSNK2A1
SCHEMBL19772304 0.79 SLC22A12 (0.40) HDAC8KMOCYP2A6MEN1ALDH1A1
SCHEMBL14765172 0.76 HDAC8 (0.39) HDAC8KMONOS1METAP2CSNK2A1
SCHEMBL23986862 0.75
SCHEMBL24858407 0.75 CA1 (0.38)
SCHEMBL13137284 0.73 HDAC8 (0.40) HDAC8KMONOS1METAP2CSNK2A1
SCHEMBL23219914 0.72 CYP11B1 (0.30) CYP11B1CYP11B2
SCHEMBL22753166 0.72 HTR2A (0.33) HTR2AHTR2C
SCHEMBL19772287 0.72 CYP1A1 (0.37) MAPTCYP11B2
SCHEMBL15798967 0.72 HDAC8 (0.39) HDAC8KMONOS1METAP2CSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-08-13 US disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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 (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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 HDAC8 2402/4885KMO 4843/4885NOS1 4751/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 HDAC8 1992/4885KMO 4730/4885NOS1 4704/4885

“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.