SCHEMBL3598774

SCHEMBL3598774

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.39
LMNA P02545 5/20 0.38
KDM4E B2RXH2 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSP90AA1 P07900 1/20 0.36
KMT2A Q03164 1/20 0.36
MET P08581 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL3592011 0.92 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ECYP3A4CYP2C9
SCHEMBL3594430 0.91 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ENPSR1CYP2C19
SCHEMBL3595274 0.90 HTR7 (0.39) ALDH1A1LMNAKDM4ECYP2C19POLB
SCHEMBL3599159 0.89 ACHE (0.37) KMT2AMAPT
SCHEMBL3597934 0.88 CACNB4 (0.44) ALDH1A1LMNAKDM4EKMT2AMAPT
SCHEMBL3602275 0.88 ALDH1A1 (0.41) ALDH1A1LMNAKDM4EKMT2APOLB
SCHEMBL3596441 0.87 ALDH1A1 (0.43) ALDH1A1LMNAKDM4ENPSR1POLB
SCHEMBL3586209 0.87 ALDH1A1 (0.40) ALDH1A1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL3602621 0.87 ACHE (0.39) ALDH1A1CYP2C9CYP2C19KMT2AMAPT
SCHEMBL3598200 0.86 KAT2B (0.38) ALDH1A1LMNAKDM4EKMT2AMAPT

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 4118/4885LMNA 4335/4885KDM4E 1967/4885

“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.