SCHEMBL16242598

SCHEMBL16242598

Nc1ccccc1SCc1ccc(CSc2ccccc2N)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.87
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP3A4 P08684 4/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 4/20 0.44
CYP2D6 P10635 3/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL3896275 0.93 POLB (1.00) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL19675345 0.90 POLB (0.71) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL19116323 0.90 POLB (0.71) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL8378911 0.90 POLB (0.71) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL12293627 0.90 POLB (0.71) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL7292108 0.90 POLB (0.71) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL7298052 0.85 POLB (0.65) POLBMEN1KMT2AMAPTNPC1
SCHEMBL19116476 0.85 POLB (0.65) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL16242699 0.85 POLB (0.77) POLBMEN1KMT2AMAPTNPSR1
SCHEMBL16242574 0.83 POLB (0.68) POLBMEN1KMT2AMAPTNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140348880-A1 Ortho-Aminothiophenol Compounds and Uses Thereof UNIV CAPE BRETON (CA) 2014-11-27 US disclosed
US-20140348880-A1 Ortho-Aminothiophenol Compounds and Uses Thereof UNIV CAPE BRETON (CA) 2014-11-27 US disclosed
US-20140348880-A1 Ortho-Aminothiophenol Compounds and Uses Thereof UNIV CAPE BRETON (CA) 2014-11-27 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 (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-20140348880-A1 Ortho-Aminothiophenol Compounds and Uses Thereof TPMT, ALPI, CYP4F2 POLB 2983/4885MEN1 3361/4885KMT2A 1458/4885

“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.