SCHEMBL12389682

SCHEMBL12389682

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 2/20 0.37
▸ SLC6A3 Q01959 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ NPSR1 Q6W5P4 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ BRD2 P25440 1/20 0.35
▸ BRD3 Q15059 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ NCOR2 Q9Y618 1/20 0.35
▸ FLT1 P17948 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ SRD5A1 P18405 1/20 0.34
▸ SRD5A2 P31213 1/20 0.34

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
SCHEMBL13384619 0.88 TDP1 (0.38) MAPK14NPSR1KDM4ENAMPTHPGD
SCHEMBL12389857 0.87 MAPK14 (0.46) MEN1KMT2AMAPK14KDM4ENAMPT
SCHEMBL12389206 0.87 SRD5A2 (0.48) ALDH1A1SRD5A1SRD5A2F11
SCHEMBL12388910 0.86 PDK2 (0.40) HSD17B3MAPK14KDM4EBRD4NAMPT
SCHEMBL12365327 0.85 SLC6A3 (0.46) HSD17B3SLC6A3MEN1KMT2AMAPK14
SCHEMBL12365683 0.84 BRD4 (0.39) HSD17B3SLC6A3MEN1KMT2AMAPK14
SCHEMBL12389888 0.84 MEN1 (0.45) HSD17B3SLC6A3MEN1KMT2AMAPK14
SCHEMBL12365301 0.84 MAPK14 (0.43) HSD17B3SLC6A3MEN1KMT2AMAPK14
SCHEMBL12365758 0.82 MEN1 (0.40) HSD17B3SLC6A3MEN1KMT2AMAPK14
SCHEMBL12365832 0.82 MAPK14 (0.44) HSD17B3MEN1KMT2AMAPK14NPSR1

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 HSD17B3 487/4885SLC6A3 137/4885MEN1 4480/4885

“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.

Send feedback