SCHEMBL3205177

SCHEMBL3205177

Oc1c(Cl)cc(OC(F)(F)F)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
WDR5 P61964 3/20 0.41
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
ACLY P53396 3/20 0.35
ERN1 O75460 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP3A4 P08684 3/20 0.32
TSHR P16473 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
RECQL P46063 2/20 0.32
HSD17B10 Q99714 2/20 0.32

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
SCHEMBL3203026 0.86 AKR1C2 (0.49) AKR1C2AKR1C1WDR5ALDH1A1THRB
SCHEMBL19643066 0.81 ALDH1A1 (0.34) AKR1C2AKR1C1WDR5ALDH1A1POLB
SCHEMBL31680183 0.79 ALDH1A1 (0.33) AKR1C2AKR1C1WDR5ALDH1A1POLB
SCHEMBL19642956 0.79 ALDH1A1 (0.33) AKR1C2AKR1C1WDR5ALDH1A1POLB
SCHEMBL9224313 0.78 GPR3 (0.35) AKR1C2AKR1C1WDR5HDAC3HDAC1
SCHEMBL29778859 0.78 CA1 (0.42) AKR1C2AKR1C1WDR5ALDH1A1POLB
SCHEMBL21486892 0.78 GAA (0.35) AKR1C2AKR1C1WDR5ALDH1A1POLB
SCHEMBL8489664 0.78 AKR1C2 (0.43) AKR1C2AKR1C1WDR5ALDH1A1GAA
SCHEMBL19643366 0.78 CA1 (0.42) AKR1C2AKR1C1WDR5ALDH1A1POLB
SCHEMBL18894018 0.76 ALOX5 (0.45) ALDH1A1ACLYERN1ALOX5PTGS2

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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-04 US disclosed
EP-2088861-A2 BENZIMIDAZOLE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2009-08-19 EP disclosed
WO-2008051533-A2 BENZIMIDAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 WO 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-20100056515-A1 BENZIMIDAZOLE COMPOUNDS HRH4, SSTR5, CNR1 AKR1C2 757/4885AKR1C1 654/4885WDR5 1390/4885

“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.