SCHEMBL18993702

SCHEMBL18993702

CCCCNc1cc(C(=O)O)cc(NCCc2ccoc2)c1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.61
▸ BLM P54132 2/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ USP2 O75604 1/20 0.61
▸ CA2 P00918 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ HPGD P15428 1/20 0.61
▸ TSHR P16473 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
▸ AQP1 P29972 1/20 0.46
▸ PTGS2 P35354 8/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ CNR2 P34972 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL18993636 0.93 ALDH1A1 (0.60) ALDH1A1BLMKDM4EUSP2CA2
SCHEMBL21018922 0.88 LMNA (0.50) ALDH1A1BLMKDM4EUSP2CA2
SCHEMBL13283807 0.88 ALDH1A1 (0.61) ALDH1A1BLMKDM4EUSP2CA2
SCHEMBL19300124 0.84 HPGD (0.61) ALDH1A1BLMKDM4EUSP2CA2
SCHEMBL2741867 0.84 KDM4E (0.72) ALDH1A1BLMKDM4EUSP2CA2
SCHEMBL18993639 0.83 KDM4E (0.60) ALDH1A1BLMKDM4EUSP2CA2
SCHEMBL18993703 0.83 KDM4E (0.60) ALDH1A1BLMKDM4EUSP2CA2
SCHEMBL2741873 0.83 CA2 (0.68) ALDH1A1BLMKDM4EUSP2CA2
SCHEMBL2741865 0.82 KDM4E (0.71) ALDH1A1BLMKDM4EUSP2CA2
SCHEMBL2875002 0.82 KDM4E (0.69) ALDH1A1BLMKDM4EUSP2CA2

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-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE NEUROPRO THERAPEUTICS INC (US) 2019-05-23 — — US disclosed
US-9682928-B2 Bumetanide analogs, compositions and methods of use NEUROPRO THERAPEUTICS, INC. (US) 2017-06-20 — — 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 ALDH1A1 625/4885BLM 2912/4885KDM4E 2764/4885

“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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