SCHEMBL3595908

SCHEMBL3595908

COc1cccc(N2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 5/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.41
GFER P55789 1/20 0.41
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
SLC6A9 P48067 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
THRB P10828 1/20 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
SCHEMBL3600571 0.93 MAPT (0.44) ALDH1A1MAPTLMNAKDM4EGFER
SCHEMBL3586209 0.91 ALDH1A1 (0.40) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL3594905 0.87 LMNA (0.48) ALDH1A1MAPTLMNASLC6A5SMN1; SMN2
SCHEMBL3600552 0.87 POLB (0.41) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL3594430 0.86 ALDH1A1 (0.44) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL3585815 0.86 POLB (0.46) ALDH1A1MAPTLMNASMN1; SMN2MEN1
SCHEMBL3595274 0.86 HTR7 (0.39) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL3593605 0.85 KCNJ1 (0.44) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL3597934 0.84 CACNB4 (0.44) ALDH1A1MAPTLMNAKDM4ESMN1; SMN2
SCHEMBL3592230 0.84 ALDH1A1 (0.40) ALDH1A1MAPTLMNAKDM4ETSHR

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 5 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
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 4118/4885MAPT 4708/4885LMNA 4335/4885

“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.