SCHEMBL11064823

SCHEMBL11064823

CNC(=N)SCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.55
NOS1 P29475 3/20 0.55
NOS3 P29474 1/20 0.55
NOS2 P35228 1/20 0.55
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
TAAR1 Q96RJ0 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 1/20 0.44
SLC11A2 P49281 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL22275634 0.83 IDO1 (0.43) IDO1NOS1NOS3NOS2TAAR1
Hydrochloric Acid SCHEMBL22263158 0.82 IDO1 (0.44) IDO1NOS1NOS3NOS2TAAR1
SCHEMBL13711770 0.80 IDO1 (0.58) IDO1NOS1TAAR1TDP1MAPT
SCHEMBL13256326 0.80 IDO1 (0.52) IDO1NOS1NOS3NOS2CA12
Bromide SCHEMBL4921073 0.78 IDO1 (0.62) IDO1NOS1NOS3NOS2CA12
SCHEMBL7785354 0.78 IDO1 (0.53) IDO1NOS1NOS3NOS2CA12
SCHEMBL6317390 0.78 CA12 (0.55) IDO1NOS1NOS3NOS2CA12
SCHEMBL20932610 0.77 IDO1 (0.39) IDO1NOS1NOS3NOS2TAAR1
Benzylamidinoisothiourea SCHEMBL13460125 0.76 IDO1 (0.62) IDO1NOS1NOS3NOS2CA12
SCHEMBL14068673 0.76 IFNAR1 (0.44) IDO1TAAR1KDM4EMAPTALDH1A1

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-20090246293-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS DOW AGROSCIENCES LLC (US) 2009-10-01 US disclosed
US-4475942-A N-Phosphonomethylglycine derivatives and herbicidal compositions containing them GESHURI LABORATORIES LTD. (IL) 1984-10-09 US disclosed
EP-0103055-A1 N-phosphonomethylglycine derivatives and herbicidal compositions containing them Geshuri Laboratories Ltd. (IL) 1984-03-21 EP 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-20090246293-A1 COMPOSITIONS AND METHODS TO CONTROL OOMYCETE FUNGAL PATHOGENS ERG28, DPM1, CYP51A1 IDO1 284/4885NOS1 844/4885NOS3 627/4885

“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.