SCHEMBL12365683

SCHEMBL12365683

COC(=O)c1ccc2c(c1)C(c1ccc(Cl)cc1C)=CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MAPK14 Q16539 3/20 0.37
▸ NPSR1 Q6W5P4 3/20 0.37
▸ HSD17B3 P37058 1/20 0.37
▸ ATM Q13315 2/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ SRD5A1 P18405 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36

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
SCHEMBL12365758 0.91 MEN1 (0.40) BRD4BRD2BRD3SLC6A3MEN1
SCHEMBL12365327 0.89 SLC6A3 (0.46) BRD4BRD2BRD3SLC6A3MEN1
SCHEMBL12365333 0.88 TDP1 (0.42) NPC1RAB9AMAPTMAPK14NPSR1
SCHEMBL12365301 0.87 MAPK14 (0.43) BRD4BRD2BRD3SLC6A3MEN1
SCHEMBL12389888 0.87 MEN1 (0.45) SLC6A3MEN1KMT2ANPC1RAB9A
SCHEMBL12365698 0.87 SRD5A2 (0.51) BRD4BRD2BRD3MAPTSRD5A1
SCHEMBL12365083 0.86 MAPK14 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12365832 0.86 MAPK14 (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12365044 0.86 CA1 (0.42) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL12365662 0.85 SLC6A3 (0.36) BRD4BRD2BRD3SLC6A3MEN1

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E BRD4 470/4885BRD2 291/4885BRD3 596/4885

“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.

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