SCHEMBL2880748

SCHEMBL2880748

CCCCNc1cc(C(=O)OC)cc(S)c1Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ SLC12A2 P55011 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ AQP1 P29972 1/20 0.49
▸ PTGS2 P35354 10/20 0.48
▸ HDAC3 O15379 1/20 0.44
▸ MAPT P10636 2/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ ATM Q13315 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 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
SCHEMBL19300036 0.91 KDM4E (0.59) HPGDLMNAKDM4EALDH1A1USP2
SCHEMBL2879559 0.91 KDM4E (0.69) HPGDLMNAKDM4EALDH1A1USP2
SCHEMBL2879535 0.90 LMNA (0.55) HPGDLMNAKDM4EALDH1A1USP2
SCHEMBL2875996 0.90 ALDH1A1 (0.59) HPGDLMNAKDM4EALDH1A1USP2
SCHEMBL12522799 0.89 KDM4E (0.58) HPGDLMNAKDM4EALDH1A1USP2
SCHEMBL14881379 0.87 KDM4E (0.56) HPGDLMNAKDM4EALDH1A1USP2
SCHEMBL2881757 0.86 ALDH1A1 (0.53) HPGDLMNAKDM4EALDH1A1USP2
SCHEMBL12522571 0.86 ALDH1A1 (0.54) HPGDLMNAKDM4EALDH1A1USP2
SCHEMBL10169401 0.86 KDM4E (0.51) HPGDLMNAKDM4EALDH1A1USP2
SCHEMBL12522564 0.85 ALDH1A1 (0.53) HPGDLMNAKDM4EALDH1A1USP2

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 5 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-20120234721-A1 DIURETIC AND DIURETIC-LIKE COMPOUND ANALOGS NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-09-20 — — US disclosed
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-01-05 — — US disclosed
US-8008283-B2 Methods and compositions for the treatment of neuropsychiatric disorders NEUROTHERAPEUTICS PHARMA, INC. (US) 2011-08-30 — — US disclosed
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS NEUROTHERAPEUTICS PHARMA, INC. 2009-08-27 — — 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 (4 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-20120234721-A1 DIURETIC AND DIURETIC-LIKE COMPOUND ANALOGS AQP4, AVPR2, AQP1 HPGD 241/4885LMNA 3676/4885KDM4E 3557/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 HPGD 1048/4885LMNA 4297/4885KDM4E 2764/4885
US-20120004225-A1 BUMETANIDE, FUROSEMIDE, PIRETANIDE, AZOSEMIDE, AND TORSEMIDE ANALOGS, COMPOSITIONS AND METHODS OF USE ABCG2, ABCB1, TRPV1 HPGD 1760/4885LMNA 3023/4885KDM4E 3528/4885
US-20090215754-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPSYCHIATRIC AND ADDICTIVE DISORDERS SLC6A2, SLC1A2, SLC18A2 HPGD 1879/4885LMNA 4437/4885KDM4E 1504/4885

“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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