SCHEMBL12365758

SCHEMBL12365758

COC(=O)c1ccc2c(c1)C(c1cc(Cl)ccc1C)=CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MAPK14 Q16539 2/20 0.37
▸ HSD17B3 P37058 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ BRD2 P25440 1/20 0.37
▸ BRD3 Q15059 1/20 0.37
▸ FLT1 P17948 1/20 0.37
▸ FLT4 P35916 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ IDH1 O75874 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL12365683 0.91 BRD4 (0.39) MEN1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL12365832 0.88 MAPK14 (0.44) MEN1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL12389147 0.88 TDP1 (0.42) MEN1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL12365327 0.87 SLC6A3 (0.46) MEN1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL12365786 0.87 SRD5A2 (0.48) MEN1KMT2AKDM4EALDH1A1
SCHEMBL12365271 0.86 MAPK14 (0.46) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL12365301 0.85 MAPK14 (0.43) MEN1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL12389888 0.85 MEN1 (0.45) MEN1KMT2AKDM4EMAPTNPC1
SCHEMBL12364985 0.84 SLC6A3 (0.42) MEN1KMT2AKDM4EL3MBTL1MAPT
SCHEMBL12364981 0.84 PDK2 (0.43) KDM4EL3MBTL1MAPTNPC1RAB9A

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-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 MEN1 4480/4885KMT2A 2505/4885KDM4E 1455/4885

“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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