SCHEMBL13848581

SCHEMBL13848581

COc1ccc(CBr)c(N=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.40
▸ POLB P06746 1/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CA2 P00918 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ ADRA1A P35348 1/20 0.35

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
SCHEMBL13349425 0.82 APLNR (0.40) APLNRPOLBHSD17B10APOBEC3AAPOBEC3G
SCHEMBL14095384 0.79 CYP2D6 (0.48) APLNRPOLBHSD17B10APOBEC3AAPOBEC3G
SCHEMBL13767212 0.78 MAPT (0.37) APLNRPOLBHSD17B10APOBEC3AAPOBEC3G
SCHEMBL12355713 0.78 EPHX2 (0.38) APLNRPOLBHSD17B10APOBEC3AAPOBEC3G
SCHEMBL13349448 0.77 ESR1 (0.43) POLBKMT2A
SCHEMBL11933957 0.77 CYP1B1 (0.44) HSD17B10APOBEC3AAPOBEC3GKDM4EALDH1A1
SCHEMBL2060421 0.77 HTR2A (0.47) APLNRPOLBHSD17B10HTR2ACA2
SCHEMBL13266801 0.76 OPRD1 (0.42) APOBEC3AAPOBEC3GKDM4EALDH1A1KMT2A
SCHEMBL3527192 0.75 APLNR (0.46) APLNRPOLBHTR2AKDM4ECYP3A4
SCHEMBL30486651 0.75 APLNR (0.46) APLNRPOLBHTR2AKDM4ECYP3A4

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-7528163-B2 N,N-Dibutyl-2-[3-(2,2-dimethylpropanoyl)-6-methoxy-1H-indazol-1-yl]acetamide; potassium channel blocker; eye neuroprotectant; hypotensive agent; glaucoma, intraoccular pressure in the eye MERCK & CO. INC. (US) 2009-05-05 — — US disclosed
US-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension MERCK SHARP & DOHME CORP. 2009-03-05 — — 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-20090062280-A1 Ophthalmic Compositions for Treating Ocular Hypertension KCNN3, KCNN1, KCNN2 APLNR 957/4885POLB 3727/4885GSK3B 1055/4885

“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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