SCHEMBL14725326

SCHEMBL14725326

O=S(=O)(O)Nc1ccc(NC(=S)Nc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
CYP3A4 P08684 1/20 0.63
TAS2R38 P59533 1/20 0.63
HSD17B10 Q99714 1/20 0.63
PTPN7 P35236 1/20 0.62
KMT2A Q03164 4/20 0.58
GAA P10253 4/20 0.58
LMNA P02545 4/20 0.58
MAOA P21397 2/20 0.58
MAOB P27338 2/20 0.58
MAPT P10636 3/20 0.56
MEN1 O00255 3/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.53
NOX1 Q9Y5S8 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
Benzene SCHEMBL6746153 0.84 CA2 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL146561 0.84 CA2 (0.58) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL3396831 0.82 ALDH1A1 (0.85) ALDH1A1PTPN7KMT2AGAALMNA
Hydrochloric Acid SCHEMBL5069950 0.82 CA2 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
Methane SCHEMBL3339448 0.82 CA2 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2ACP1
SCHEMBL28176614 0.82 CA2 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
Ammonia Solution, Strong SCHEMBL4592850 0.82 KEAP1 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2ACP1
SCHEMBL3213812 0.82 CA2 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2POLB
SCHEMBL29756025 0.82 CA2 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2ACP1
SCHEMBL8956322 0.82 ALDH1A1 (0.94) ALDH1A1CYP3A4TAS2R38HSD17B10PTPN7

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-20130053392-A1 CARBONIC ANHYDRASE INHIBITORS UNIVERSITETET I OSLO (NO) 2013-02-28 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-20130053392-A1 CARBONIC ANHYDRASE INHIBITORS CA9, CA2, CA4 ALDH1A1 682/4885CYP3A4 615/4885TAS2R38 3064/4885

“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.