SCHEMBL19300066

SCHEMBL19300066

CCCCNc1cc(C(=O)O)cc(NCc2cccs2)c1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ LMNA P02545 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ SLC12A2 P55011 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ NPSR1 Q6W5P4 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ POLB P06746 1/20 0.51
▸ AQP1 P29972 1/20 0.48
▸ PTGS2 P35354 7/20 0.45
▸ KDM4C Q9H3R0 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2741873 0.85 CA2 (0.68) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL2741867 0.84 KDM4E (0.72) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL18993714 0.82 KDM4E (0.71) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL2741865 0.82 KDM4E (0.71) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL19300067 0.82 ALDH1A1 (0.61) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL2741864 0.82 ALDH1A1 (0.69) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL2875002 0.82 KDM4E (0.69) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL18993636 0.81 ALDH1A1 (0.60) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL18993651 0.80 ALDH1A1 (0.50) HPGDALDH1A1LMNAKDM4EUSP2
SCHEMBL15495571 0.80 KDM4E (0.67) HPGDALDH1A1LMNAKDM4EUSP2

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 HPGD 1373/4885ALDH1A1 889/4885LMNA 3992/4885

“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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