SCHEMBL3602397

SCHEMBL3602397

CCOC(=O)C1CCCCN1C(=O)c1ccc(OC2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37
FKBP1A P62942 3/20 0.36
KDM4E B2RXH2 3/20 0.35
POLB P06746 1/20 0.35
CCR5 P51681 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NPC1 O15118 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
RAB9A P51151 1/20 0.32
PDE5A O76074 1/20 0.32

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
SCHEMBL3590794 0.94 KDM4E (0.35) ALDH1A1PDE4BKDM4EPOLBCCR5
SCHEMBL3585659 0.89 KMT2A (0.41) ALDH1A1KDM4EPOLBSMN1; SMN2MEN1
SCHEMBL3592312 0.89 MAPT (0.37) ALDH1A1POLBCCR5SMN1; SMN2MEN1
SCHEMBL3599012 0.89 ALDH1A1 (0.48) ALDH1A1KDM4EPOLBSMN1; SMN2KMT2A
SCHEMBL3587526 0.87 CCR5 (0.39) ALDH1A1KDM4EPOLBCCR5MEN1
SCHEMBL3600445 0.86 CCR5 (0.38) ALDH1A1PDE4BPDE4DCCR5SMN1; SMN2
SCHEMBL3593561 0.86 CCR5 (0.37) PDE4BPDE4DPOLBCCR5SMN1; SMN2
SCHEMBL3597453 0.85 POLB (0.35) ALDH1A1POLBCCR5KMT2AMAPT
SCHEMBL3585336 0.85 ALDH1A1 (0.41) ALDH1A1PDE4BPDE4DKDM4ECCR5
SCHEMBL3598302 0.85 BCHE (0.36) ALDH1A1KDM4EPOLBCCR5SMN1; SMN2

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 2 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
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 4118/4885PDE4B 1999/4885PDE4D 3977/4885

“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.