SCHEMBL6410058

SCHEMBL6410058

COc1c(Br)cc(Br)cc1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
MAPT P10636 2/20 0.46
ALOX15 P16050 2/20 0.44
ALOX12 P18054 1/20 0.44
CA2 P00918 3/20 0.42
CA4 P22748 3/20 0.42
CA1 P00915 1/20 0.40
CA6 P23280 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
TACR1 P25103 1/20 0.38
TSHR P16473 3/20 0.37
TPMT P51580 1/20 0.37
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
MCHR1 Q99705 1/20 0.36
APOBEC3A P31941 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
SCHEMBL10600312 0.90 MAPT (0.50) HSD17B10MAPTALOX15ALOX12CA2
SCHEMBL3927720 0.84 MAPT (0.46) HSD17B10MAPTALOX15CA2CA4
SCHEMBL5549042 0.82 ALOX15 (0.47) HSD17B10MAPTALOX15ALOX12CA2
SCHEMBL3598495 0.82 MAPT (0.44) HSD17B10MAPTCA2CA4PDE4A
SCHEMBL11222378 0.82 HSD17B10 (0.47) HSD17B10MAPTALOX15ALOX12CA2
SCHEMBL8429787 0.82 HSD17B10 (0.52) HSD17B10MAPTALOX15ALOX12CA2
SCHEMBL28855414 0.81 MAPT (0.43) HSD17B10MAPTCA2CA4PDE4A
SCHEMBL4932262 0.81 KMT2A (0.46) HSD17B10MAPTALOX15CA2CA4
SCHEMBL5554870 0.81 MAPT (0.43) HSD17B10MAPTCA2CA4PDE4A
SCHEMBL301662 0.78 HSD17B10 (0.59) HSD17B10MAPTALOX15ALOX12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960601-B2 Preparation and use of imidazole derivatives for treatment of obesity BAYER PHARMACEUTICALS CORPORATION (US) 2005-11-01 US disclosed
US-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-02-17 US disclosed
EP-1460062-A1 NITROGENOUS CYCLIC KETONE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use BDKRB1, BDKRB2, TACR1 HSD17B10 1974/4885MAPT 4499/4885ALOX15 2978/4885

“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.