SCHEMBL5478349

SCHEMBL5478349

CN1C(C)(C)c2ccc([N+](=O)[O-])cc2S1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
STAT3 P40763 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 3/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 2/20 0.41
AKR1B1 P15121 2/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ACE2 Q9BYF1 1/20 0.39
CASP1 P29466 1/20 0.38
CASP3 P42574 1/20 0.38
CASP4 P49662 1/20 0.38

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
SCHEMBL5475955 0.83 RAB9A (0.42) RAB9AMEN1NPC1STAT3MTOR
SCHEMBL7954891 0.80 RAB9A (0.40) RAB9AMEN1NPC1STAT3MTOR
SCHEMBL7683764 0.78 RAB9A (0.39) RAB9AMEN1NPC1STAT3MTOR
SCHEMBL1655069 0.73 CA12 (0.49) RAB9AMEN1NPC1STAT3MTOR
SCHEMBL28761808 0.73 RAB9A (0.38) RAB9AMEN1NPC1STAT3MTOR
SCHEMBL18529408 0.71 TSHR (0.46) MAPTHTTAKR1B1ALDH1A1TDP1
SCHEMBL1950848 0.71 TSHR (0.46) MEN1KMT2AHIF1AMAPTAKR1B1
SCHEMBL12059117 0.71 CA9 (0.40) MEN1KMT2ACA12CA9HTT
SCHEMBL30872997 0.69 ACE2 (0.60) RAB9AMEN1NPC1STAT3MTOR
SCHEMBL25518891 0.69 ACE2 (0.60) RAB9AMEN1NPC1STAT3MTOR

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-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors AVENTIS PHARMA S.A. (FR) 2007-11-08 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-20070259891-A1 Heterocycle-Substituted Cyclic Urea Derivatives, Preparation Thereof And Pharmaceutical Use Thereof As Kinase Inhibitors CDK1, PRKAR2B, MAP3K19 RAB9A 1343/4885MEN1 1555/4885NPC1 4086/4885

“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.