SCHEMBL3598971

SCHEMBL3598971

O=C(c1ccccn1)N1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.39
PDE4D Q08499 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 2/20 0.38
EPHX2 P34913 2/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.37
SFRP1 Q8N474 1/20 0.37
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 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
SCHEMBL3604194 0.92 CYP2D6 (0.43) PDE4BPDE4DALDH1A1KMT2AKDM4E
SCHEMBL3605875 0.90 PRKAA2 (0.45) ALDH1A1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL3592162 0.89 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL3599994 0.88 CYP3A4 (0.41) ACHE
SCHEMBL3596441 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1LMNAMAPT
SCHEMBL3601221 0.87 MAPT (0.45) ALDH1A1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL3592230 0.87 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4EL3MBTL1LMNA
SCHEMBL3599488 0.87 PRKAA2 (0.42) PDE4BPDE4DALDH1A1KMT2AL3MBTL1
SCHEMBL3589492 0.87 ALDH1A1 (0.47) PDE4BPDE4DALDH1A1KMT2AEPHX2
SCHEMBL3602275 0.87 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EL3MBTL1LMNA

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 PDE4B 1999/4885PDE4D 3977/4885ALDH1A1 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.