SCHEMBL21019019

SCHEMBL21019019

CCCCNc1cc(C(=O)O)cc(C)c1Sc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ SLC12A2 P55011 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HCAR3 P49019 4/20 0.44
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ KDM6B O15054 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40

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
SCHEMBL10281843 0.87 CA2 (0.49) CA2KDM4ELMNAUSP2ALDH1A1
SCHEMBL16577858 0.85 CA2 (0.45) CA2KDM4ELMNAUSP2ALDH1A1
SCHEMBL2880820 0.83 CA2 (0.64) CA2KDM4ELMNAUSP2ALDH1A1
SCHEMBL2883306 0.81 CA2 (0.42) CA2KDM4ELMNAUSP2ALDH1A1
SCHEMBL21019023 0.79 KDM4E (0.50) CA2KDM4ELMNAUSP2ALDH1A1
SCHEMBL21018930 0.77 ALDH1A1 (0.48) CA2KDM4ELMNAUSP2ALDH1A1
SCHEMBL18993714 0.76 KDM4E (0.71) CA2KDM4ELMNAUSP2ALDH1A1
SCHEMBL10281844 0.75 CNR2 (0.43) CA2KDM4ELMNAUSP2ALDH1A1
SCHEMBL16581252 0.75 CA2 (0.55) CA2KDM4ELMNAUSP2ALDH1A1
SCHEMBL18993698 0.75 GAA (0.51) CA2KDM4ELMNAUSP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2019-05-23 — — 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-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 CA2 388/4885KDM4E 2764/4885LMNA 4297/4885

“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.

Send feedback