SCHEMBL20174110

SCHEMBL20174110

S=C(NC(=S)c1ccccc1)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.67
ALDH1A1 P00352 7/20 0.64
TAS2R38 P59533 2/20 0.64
HSD17B10 Q99714 2/20 0.64
CYP3A4 P08684 1/20 0.64
RAB9A P51151 6/20 0.59
NPC1 O15118 5/20 0.59
KMT2A Q03164 4/20 0.59
GAA P10253 3/20 0.59
MEN1 O00255 3/20 0.59
NOX1 Q9Y5S8 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.55
TP53 P04637 1/20 0.54
TYR P14679 1/20 0.54
TSHR P16473 1/20 0.54
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL8169137 0.87 NPC1 (0.74) EPHX1ALDH1A1CYP3A4RAB9ANPC1
SCHEMBL730314 0.84 ALDH1A1 (0.80) EPHX1ALDH1A1TAS2R38HSD17B10CYP3A4
SCHEMBL557621 0.82 NPC1 (0.73) EPHX1ALDH1A1TAS2R38HSD17B10CYP3A4
SCHEMBL9317189 0.80 NPC1 (0.70) EPHX1ALDH1A1TAS2R38HSD17B10CYP3A4
SCHEMBL9317188 0.80 NPC1 (0.70) EPHX1ALDH1A1TAS2R38HSD17B10CYP3A4
SCHEMBL11178380 0.80 EPHX1 (0.62) EPHX1ALDH1A1TAS2R38HSD17B10CYP3A4
N-(Phenylcarbamothioyl)Benzamide SCHEMBL2341910 0.80 EPHX1 (1.00) EPHX1ALDH1A1RAB9ANPC1KMT2A
SCHEMBL20178974 0.80 NPC1 (0.50) EPHX1ALDH1A1TAS2R38HSD17B10CYP3A4
SCHEMBL3063667 0.80 NPC1 (0.50) EPHX1ALDH1A1TAS2R38HSD17B10CYP3A4
SCHEMBL3062971 0.79 POLB (0.54) EPHX1ALDH1A1TAS2R38HSD17B10CYP3A4

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-20180142322-A1 METHODS FOR SIMULTANEOUS LEACHING AND EXTRACTION OF PRECIOUS METALS UNIVERSITY OF SASKATCHEWAN (CA) 2018-05-24 US disclosed
US-20180142322-A1 METHODS FOR SIMULTANEOUS LEACHING AND EXTRACTION OF PRECIOUS METALS UNIVERSITY OF SASKATCHEWAN (CA) 2018-05-24 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-20180142322-A1 METHODS FOR SIMULTANEOUS LEACHING AND EXTRACTION OF PRECIOUS METALS AOC1, SOD1, SLC39A7 EPHX1 2676/4885ALDH1A1 114/4885TAS2R38 3531/4885

“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.