SCHEMBL18993679

SCHEMBL18993679

CCCCN(CCCC)c1cc(C(=O)O)cc(NCc2cccnc2)c1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ TSHR P16473 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ SLC12A2 P55011 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ KDM4C Q9H3R0 1/20 0.42
▸ NAMPT P43490 1/20 0.41
▸ GRM2 Q14416 2/20 0.41
▸ AQP1 P29972 1/20 0.40
▸ VNN1 O95497 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ EPHX1 P07099 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
SCHEMBL2741957 0.91 LMNA (0.52) ALDH1A1KDM4ETSHRNPSR1USP2
SCHEMBL18993700 0.86 ALDH1A1 (0.59) ALDH1A1KDM4ETSHRNPSR1USP2
SCHEMBL2741959 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRNPSR1USP2
SCHEMBL18993748 0.83 ALDH1A1 (0.46) ALDH1A1KDM4ETSHRNPSR1USP2
SCHEMBL18993689 0.83 LMNA (0.46) ALDH1A1KDM4ETSHRNPSR1USP2
SCHEMBL18993691 0.83 LMNA (0.46) ALDH1A1KDM4ETSHRNPSR1USP2
SCHEMBL2741953 0.81 LMNA (0.50) ALDH1A1KDM4ETSHRNPSR1USP2
SCHEMBL2877269 0.80 LMNA (0.49) ALDH1A1KDM4ETSHRNPSR1USP2
SCHEMBL2741952 0.80 LMNA (0.49) ALDH1A1KDM4ETSHRNPSR1USP2
SCHEMBL2741958 0.79 LMNA (0.46) ALDH1A1KDM4ETSHRNPSR1USP2

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 625/4885KDM4E 2764/4885TSHR 986/4885

“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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