SCHEMBL4157946

SCHEMBL4157946

Cc1cc(SC(F)(F)F)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
KDM4E B2RXH2 1/20 0.52
TSHR P16473 3/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
CYP3A4 P08684 4/20 0.45
KCNH2 Q12809 1/20 0.44
S100B P04271 1/20 0.40
PTPRZ1 P23471 2/20 0.37
PTPN1 P18031 1/20 0.37
ESR1 P03372 2/20 0.36
AR P10275 1/20 0.36
ESR2 Q92731 1/20 0.36
SKP2 Q13309 1/20 0.35
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL2113009 0.85 TDP1 (0.42) ALDH1A1TDP1KDM4ETSHRMAPK1
SCHEMBL699375 0.85 TDP1 (0.42) ALDH1A1TDP1KDM4ETSHRMAPK1
SCHEMBL12775090 0.84 TDP1 (0.52) ALDH1A1TDP1KDM4ETSHRMAPK1
SCHEMBL12003617 0.82 ALDH1A1 (0.39) ALDH1A1TDP1KDM4ETSHRMAPK1
SCHEMBL551038 0.81 ALDH1A1 (0.46) ALDH1A1TDP1KDM4ETSHRMAPK1
SCHEMBL12828098 0.81 SMN1; SMN2 (0.51) ALDH1A1TDP1KDM4ETSHRMAPK1
SCHEMBL2020959 0.81 TDP1 (0.58) ALDH1A1TDP1KDM4ETSHRMAPK1
SCHEMBL29497534 0.81 TDP1 (0.58) ALDH1A1TDP1KDM4ETSHRMAPK1
SCHEMBL699377 0.80 ALDH1A1 (0.38) ALDH1A1TDP1KDM4ETSHRMAPK1
SCHEMBL21225496 0.80 SMN1; SMN2 (0.47) ALDH1A1TDP1KDM4ETSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176786-A1 Benzoylurea Compounds and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed
US-20090176786-A1 Benzoylurea Compounds and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed
US-20090176786-A1 Benzoylurea Compounds and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed
WO-2007046513-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-26 WO 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-20090176786-A1 Benzoylurea Compounds and Use Thereof BTK, BRIX1, NFXL1 ALDH1A1 1454/4885TDP1 1690/4885KDM4E 1105/4885

“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.