SCHEMBL3592011

SCHEMBL3592011

O=[N+]([O-])c1ccc2c(C(O)(CN3CCN(S(=O)(=O)c4ccccc4)CC3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 2/20 0.44
HSP90AA1 P07900 1/20 0.44
HTT P42858 1/20 0.43
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
TNFSF11 O14788 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
MAPK1 P28482 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
SCHEMBL3598774 0.92 ALDH1A1 (0.39) ALDH1A1KMT2AHSP90AA1KDM4ELMNA
SCHEMBL3594430 0.91 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMAPTCYP2C19
SCHEMBL3595274 0.88 HTR7 (0.39) ALDH1A1KDM4ELMNAMAPTCYP2C19
SCHEMBL3597934 0.88 CACNB4 (0.44) ALDH1A1KMT2AKDM4ELMNAMAPT
SCHEMBL3596441 0.87 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAMAPTTDP1
SCHEMBL3586209 0.87 ALDH1A1 (0.40) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL3595997 0.87 HTR2A (0.45) MAPTMAPK1
SCHEMBL13254029 0.86 ALDH1A1 (0.37) ALDH1A1KMT2AKDM4ELMNAMAPT
SCHEMBL3600408 0.86 KCNJ1 (0.47) ALDH1A1KMT2AKDM4ELMNAMAPT
SCHEMBL3598200 0.86 KAT2B (0.38) ALDH1A1KMT2AKDM4ELMNAMAPT

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 4118/4885KMT2A 4721/4885HSP90AA1 3432/4885

“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.