SCHEMBL13764448

SCHEMBL13764448

NOOSc1ccc(CN=C=S)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MIF P14174 10/20 0.49
TRPA1 O75762 3/20 0.49
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
CYP2E1 P05181 1/20 0.30
CYP2A6 P11509 1/20 0.30
HIF1A Q16665 1/20 0.30
CYP2A13 Q16696 1/20 0.30
EPAS1 Q99814 1/20 0.30

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
SCHEMBL330596 0.76 MIF (0.61) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL2141861 0.75 MIF (0.77) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL10261966 0.74 MIF (0.47) MIF
SCHEMBL13764450 0.73 HDAC3 (0.33)
SCHEMBL13664656 0.73 MIF (0.57) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL8763362 0.69 MIF (0.68) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL9678076 0.69 MIF (0.56) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL1815294 0.69 MIF (0.71) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL12049621 0.67 SLC6A4 (0.43)
SCHEMBL1457562 0.66 MIF (1.00) MIFTRPA1ALDH1A1CYP3A4HPGD

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-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed
US-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2009-07-09 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-20090175794-A1 INHIBITORS OF CARBONIC ANHYDRASE IX CA9, CA12, CA1 MIF 4374/4885TRPA1 4626/4885ALDH1A1 2166/4885

“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.