SCHEMBL3602945

SCHEMBL3602945

CCOC(=O)CCc1ccc2c(c1)CCN(CC(O)(c1cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc13)C(F)(F)F)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 2/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.33
MET P08581 1/20 0.33
CHRM5 P08912 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
HRH2 P25021 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR1E P28566 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL3602665 0.91 PLA2G4A (0.38) ALDH1A1MAPK1LMNAABCB1ABCG2
SCHEMBL3596201 0.86 ALDH1A1 (0.41) ALDH1A1KMT2ALMNAMETCHRM5
SCHEMBL3589090 0.85 POLB (0.35) ALDH1A1KMT2AMAPK1TDP1LMNA
SCHEMBL3596799 0.85 BLM (0.40) ALDH1A1KMT2AMAPK1LMNASIGMAR1
SCHEMBL3589259 0.84 ALDH1A1 (0.35) ALDH1A1KMT2AMAPK1TDP1MET
SCHEMBL3595332 0.84 LGALS1 (0.35) ALDH1A1KMT2ALMNAHTR1ASLC6A2
SCHEMBL13254268 0.84 MET (0.38) ALDH1A1KMT2ALMNAMETAR
SCHEMBL3597869 0.84 ALDH1A1 (0.35) ALDH1A1KMT2AMAPK1TDP1LMNA
SCHEMBL3592165 0.84 HTR2A (0.45) ALDH1A1KMT2AHTR2AMEN1AGTR1
SCHEMBL13254288 0.84 FAAH (0.38) ALDH1A1LMNA

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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 ALDH1A1 4118/4885KMT2A 4721/4885MAPK1 703/4885

“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.