SCHEMBL3600657

SCHEMBL3600657

COc1ccccc1C(=O)N1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.42
LMNA P02545 3/20 0.40
SLC6A5 Q9Y345 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK14 Q16539 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
SCHEMBL3593605 0.88 KCNJ1 (0.44) ALDH1A1KMT2AGAAHTTSMN1; SMN2
SCHEMBL3592162 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AHTTSMN1; SMN2MAPT
SCHEMBL3594905 0.87 LMNA (0.48) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL3602275 0.87 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL3596441 0.87 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL3595546 0.87 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL3594430 0.85 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL3595021 0.85 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTPOLBKDM4E
SCHEMBL16326419 0.85 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL3585791 0.85 ALDH1A1 (0.40) ALDH1A1KMT2AHTTSMN1; SMN2MAPT

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 4721/4885GAA 4756/4885

“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.