SCHEMBL3592162

SCHEMBL3592162

O=C(c1ccccc1)N1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
LMNA P02545 4/20 0.46
KMT2A Q03164 2/20 0.46
SIGMAR1 Q99720 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
BLM P54132 1/20 0.42
KDM4E B2RXH2 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
GALR3 O60755 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL3602035 0.93 PKM (0.42) ALDH1A1LMNAKMT2ASIGMAR1SMN1; SMN2
SCHEMBL3589492 0.93 ALDH1A1 (0.47) ALDH1A1LMNAKMT2ASMN1; SMN2KDM4E
SCHEMBL3596441 0.93 ALDH1A1 (0.43) ALDH1A1LMNASIGMAR1SMN1; SMN2L3MBTL1
SCHEMBL3591781 0.91 L3MBTL1 (0.43) ALDH1A1LMNAKMT2ASIGMAR1SMN1; SMN2
SCHEMBL3591777 0.91 L3MBTL1 (0.43) ALDH1A1LMNAKMT2ASIGMAR1SMN1; SMN2
SCHEMBL13254227 0.91 NPC1 (0.46) ALDH1A1LMNAKMT2ASIGMAR1SMN1; SMN2
SCHEMBL3602275 0.91 ALDH1A1 (0.41) ALDH1A1LMNAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL3594430 0.91 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL3595021 0.91 ALDH1A1 (0.52) ALDH1A1LMNAKMT2AL3MBTL1KDM4E
SCHEMBL3600000 0.90 POLB (0.46) ALDH1A1LMNAKMT2ASMN1; SMN2L3MBTL1

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 6 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
CN-101321726-A Novel fused pyrrole derivative DAINIPPON SUMITOMO PHARMA CO (JP) 2008-12-10 CN 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 4118/4885LMNA 4335/4885KMT2A 4721/4885

“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.