SCHEMBL19300138

SCHEMBL19300138

CCCCN(CCCC)c1cc(C(=O)O)cc(NCCC2CCCN2)c1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ LMNA P02545 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
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ AQP1 P29972 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ PTGS2 P35354 3/20 0.36

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
SCHEMBL18993692 0.92 KDM4E (0.44) HIF1AKDM4EUSP2ALDH1A1CA2
SCHEMBL18993640 0.85 KDM4E (0.47) HIF1AKDM4EUSP2ALDH1A1CA2
SCHEMBL2741960 0.82 LMNA (0.48) HIF1AKDM4EUSP2ALDH1A1CA2
SCHEMBL2741959 0.81 ALDH1A1 (0.54) HIF1AKDM4EUSP2ALDH1A1CA2
SCHEMBL2741961 0.81 KDM4E (0.47) HIF1AKDM4EUSP2ALDH1A1CA2
SCHEMBL13283872 0.80 KDM4E (0.41) HIF1AKDM4EUSP2ALDH1A1CA2
SCHEMBL19300231 0.80 KDM4E (0.44) HIF1AKDM4EUSP2ALDH1A1CA2
SCHEMBL2741955 0.80 LMNA (0.45) HIF1AKDM4EUSP2ALDH1A1CA2
SCHEMBL2741954 0.79 KDM4E (0.44) HIF1AKDM4EUSP2ALDH1A1CA2
SCHEMBL21018921 0.79 LMNA (0.49) HIF1AKDM4EUSP2ALDH1A1CA2

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 HIF1A 1484/4885KDM4E 2228/4885USP2 3353/4885

“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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