SCHEMBL19300129

SCHEMBL19300129

NS(=O)(=O)c1cc(C(=O)O)cc(Cc2ccc[nH]2)c1Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.52
▸ USP2 O75604 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ CA2 P00918 3/20 0.51
▸ TSHR P16473 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ SLC12A2 P55011 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ AQP1 P29972 1/20 0.40
▸ PKM P14618 1/20 0.38
▸ SRD5A2 P31213 2/20 0.38
▸ AKR1C3 P42330 1/20 0.37
▸ PTGS2 P35354 6/20 0.37
▸ P2RX4 Q99571 1/20 0.37
▸ SOS1 Q07889 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
SCHEMBL11121179 0.89 KDM4E (0.51) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL18993670 0.82 KDM4E (0.51) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11538214 0.79 KDM4E (0.58) KDM4EUSP2ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL11539001 0.78 KDM4E (0.57) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL18993671 0.77 KDM4E (0.51) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL18993669 0.77 KDM4E (0.51) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11540082 0.77 KDM4E (0.56) KDM4EUSP2ALDH1A1LMNAHPGD
Hydrochloric Acid SCHEMBL11540442 0.76 KDM4E (0.56) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11543578 0.76 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAHPGD
SCHEMBL11540200 0.76 KDM4E (0.54) KDM4EUSP2ALDH1A1LMNAHPGD

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-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2017-08-31 — — 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-20170246131-A1 BUMETANIDE ANALOGS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A13, SLC6A11 KDM4E 2228/4885USP2 3353/4885ALDH1A1 889/4885

“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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