SCHEMBL3590592

SCHEMBL3590592

O=[N+]([O-])c1ccc2c(C(O)(CNCC3CCCO3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 3/20 0.38
RXFP1 Q9HBX9 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 4/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3604941 0.90 BCHE (0.37) SMN1; SMN2ALDH1A1MAPTLMNAKMT2A
SCHEMBL3603384 0.83 L3MBTL1 (0.42) HSP90AA1SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3595097 0.83 KMT2A (0.41) SMN1; SMN2ALDH1A1MAPTPOLBNPC1
SCHEMBL13254121 0.82 KMT2A (0.39) SMN1; SMN2ALDH1A1KDM4EMAPTPOLB
SCHEMBL13254113 0.82 F2RL3 (0.42) HSP90AA1SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3600448 0.81 FHIT (0.38) SMN1; SMN2ALDH1A1KDM4EMAPTPOLB
SCHEMBL13254123 0.81 POLB (0.40) SMN1; SMN2ALDH1A1KDM4EMAPTPOLB
SCHEMBL3583209 0.81 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL13254112 0.81 PDE4A (0.38) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL3603757 0.80 ALDH1A1 (0.38) HSP90AA1SMN1; SMN2ALDH1A1MAPTNPSR1

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 HSP90AA1 3432/4885SMN1; SMN2 4722/4885ALDH1A1 4118/4885

“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.