SCHEMBL12365327

SCHEMBL12365327

COC(=O)c1ccc2c(c1)C(c1ccc(Cl)cc1Cl)=CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.46
▸ FLT1 P17948 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ ALPL P05186 1/20 0.42
▸ MAPT P10636 5/20 0.42
▸ RAB9A P51151 2/20 0.40
▸ ATM Q13315 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ MAPK14 Q16539 2/20 0.38
▸ HSD17B3 P37058 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ BRD2 P25440 1/20 0.37
▸ BRD3 Q15059 1/20 0.37

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
SCHEMBL12365679 0.89 MAPT (0.42) SLC6A3MAPTRAB9AATMNPC1
SCHEMBL12365683 0.89 BRD4 (0.39) SLC6A3FLT1FLT4KDRMAPT
SCHEMBL12365312 0.88 MAPK14 (0.48) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL12365301 0.88 MAPK14 (0.43) SLC6A3FLT1FLT4KDRMAPT
SCHEMBL12389888 0.88 MEN1 (0.45) SLC6A3MAPTRAB9ANPC1MEN1
SCHEMBL12365832 0.87 MAPK14 (0.44) FLT1FLT4KDRMAPTRAB9A
SCHEMBL12365758 0.87 MEN1 (0.40) SLC6A3FLT1FLT4KDRMAPT
SCHEMBL12365000 0.87 MAPK14 (0.43) MAPTALDH1A1MAPK14L3MBTL1KDM4E
SCHEMBL12365662 0.86 SLC6A3 (0.36) SLC6A3FLT1FLT4KDRMAPT
SCHEMBL12389682 0.85 HSD17B3 (0.37) SLC6A3FLT1FLT4KDRMAPT

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 SLC6A3 137/4885FLT1 3047/4885FLT4 3310/4885

“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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