SCHEMBL3214512

SCHEMBL3214512

COC(=O)NN(C)C(=O)c1cc(Br)cc(Br)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ABCB11 O95342 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
AR P10275 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
PDE4A P27815 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL3205795 0.82 HSD17B10 (0.39) HSD17B10KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL13541671 0.80 HSD17B10 (0.38) HSD17B10KDM4EALDH1A1CYP2D6CYP1A2
SCHEMBL13300851 0.78 HSD17B10 (0.40) HSD17B10KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL13489631 0.78 HSD17B10 (0.36) HSD17B10ALDH1A1CYP2D6MMP1MMP9
SCHEMBL11983653 0.78 HSD17B10 (0.36) HSD17B10KDM4E
SCHEMBL3211571 0.77 HSD17B10 (0.39) HSD17B10KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL639796 0.77 AKR1C4 (0.39) HSD17B10KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL29562450 0.75 KDM4E (0.49) HSD17B10KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL1119372 0.75 KDM4E (0.49) HSD17B10KDM4EAKR1C4AKR1C3AKR1C2
SCHEMBL640590 0.75 ALDH1A1 (0.44) HSD17B10AKR1C4AKR1C3AKR1C2AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785646-B2 Process for producing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-07-22 US disclosed
US-8541613-B2 Process for producing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-24 US disclosed
US-8501951-B2 Process for producing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-08-06 US disclosed
US-20130131349-A1 PROCESS FOR PRODUCING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-23 US disclosed
US-20130131371-A1 PROCESS FOR PRODUCING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-23 US disclosed
US-20130131348-A1 PROCESS FOR PRODUCING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-23 US disclosed
EP-2143721-B1 HYDRAZIDE COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING AGENT CONTAINING THE SAME SUMITOMO CHEMICAL CO (JP) 2012-08-15 EP disclosed
US-8119811-B2 Method for producing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-21 US disclosed
US-8119811-B2 Method for producing amide compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-21 US disclosed
US-20100113794-A1 METHOD FOR PRODUCING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-06 US disclosed
US-20100113794-A1 METHOD FOR PRODUCING AMIDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-06 US disclosed
US-20100048640-A1 HYDRAZIDE COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING AGENT CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-25 US disclosed
EP-2143721-A1 HYDRAZIDE COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING AGENT CONTAINING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-01-13 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 (5 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-20130131349-A1 PROCESS FOR PRODUCING AMIDE COMPOUND C9, F3, C5 HSD17B10 1616/4885KDM4E 2417/4885AKR1C4 413/4885
US-20130131371-A1 PROCESS FOR PRODUCING AMIDE COMPOUND C9, F3, C5 HSD17B10 1616/4885KDM4E 2417/4885AKR1C4 413/4885
US-20100048640-A1 HYDRAZIDE COMPOUND AND HARMFUL ARTHROPOD-CONTROLLING AGENT CONTAINING THE SAME CYC1, L3MBTL1, CBR3 HSD17B10 2530/4885KDM4E 2227/4885AKR1C4 563/4885
US-20130131348-A1 PROCESS FOR PRODUCING AMIDE COMPOUND C9, F3, C5 HSD17B10 1616/4885KDM4E 2417/4885AKR1C4 413/4885
US-20100113794-A1 METHOD FOR PRODUCING AMIDE COMPOUND CBR3, AOX1, AOC2 HSD17B10 499/4885KDM4E 2739/4885AKR1C4 180/4885

“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.