SCHEMBL12522425

SCHEMBL12522425

O=C(O)c1cc(S)c(Cl)cc1NCc1ccco1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
CISD1 Q9NZ45 2/20 0.68
CA12 O43570 1/20 0.68
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
HTR1A P08908 1/20 0.68
CA4 P22748 1/20 0.68
CA6 P23280 1/20 0.68
HSD11B1 P28845 1/20 0.68
CA5A P35218 1/20 0.68
CA7 P43166 1/20 0.68
SLC10A1 Q14973 1/20 0.68
CA9 Q16790 1/20 0.68
GPR35 Q9HC97 1/20 0.68
CA14 Q9ULX7 1/20 0.68
ABCG2 Q9UNQ0 1/20 0.68
CA5B Q9Y2D0 1/20 0.68
APP P05067 9/20 0.65
TEX264 Q9Y6I9 1/20 0.58
KDM4E B2RXH2 2/20 0.54

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
SCHEMBL10281553 0.90 ALDH1A1 (0.56) ALDH1A1CISD1CA12CA1CA2
SCHEMBL12451376 0.87 APP (0.69) ALDH1A1CISD1CA12CA1CA2
SCHEMBL12450221 0.85 APP (0.56) ALDH1A1CISD1CA12CA1CA2
SCHEMBL22836971 0.85 CISD1 (0.71) ALDH1A1CISD1CA12CA1CA2
SCHEMBL14470798 0.85 APP (0.69) ALDH1A1CISD1CA12CA1CA2
SCHEMBL29855650 0.85 CISD1 (0.71) ALDH1A1CISD1CA12CA1CA2
SCHEMBL13754510 0.85 ALDH1A1 (0.50) ALDH1A1CISD1CA12CA1CA2
SCHEMBL13284092 0.83 ALDH1A1 (0.65) ALDH1A1CISD1CA12CA1CA2
SCHEMBL13754511 0.82 APP (0.52) ALDH1A1CISD1CA12CA1CA2
SCHEMBL22836958 0.82 APP (0.68) ALDH1A1CISD1CA12CA1CA2

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-20120234721-A1 DIURETIC AND DIURETIC-LIKE COMPOUND ANALOGS NEUROTHERAPEUTICS PHARMA, INC. (US) 2012-09-20 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 (2 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 ALDH1A1 687/4885CISD1 2281/4885CA12 1656/4885
US-20190151263-A1 BUMETANIDE ANALGOS, COMPOSITIONS, AND METHODS OF USE SLC6A1, SLC6A11, SLC6A13 ALDH1A1 625/4885CISD1 3822/4885CA12 1049/4885

“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.