SCHEMBL3590794

SCHEMBL3590794

COc1cc(C(=O)N2CCCCC2C(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 2/20 0.35
CCR5 P51681 1/20 0.35
PDE4B Q07343 1/20 0.34
GYS1 P13807 1/20 0.34
PDE5A O76074 1/20 0.34
PTPN11 Q06124 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.33
ACE P12821 1/20 0.33

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
SCHEMBL3602397 0.94 ALDH1A1 (0.40) KDM4EALDH1A1POLBCCR5PDE4B
SCHEMBL3587526 0.90 CCR5 (0.39) KDM4EALDH1A1POLBCCR5
SCHEMBL3585336 0.89 ALDH1A1 (0.41) KDM4EALDH1A1CCR5PDE4B
SCHEMBL3598761 0.88 ALDH1A1 (0.39) KDM4EALDH1A1POLBCCR5CNR1
SCHEMBL3592312 0.87 MAPT (0.37) ALDH1A1POLBCCR5CNR2MAPT
SCHEMBL3587915 0.86 MAPK1 (0.41) ALDH1A1CCR5MAPT
SCHEMBL14160060 0.86 CACNA1C (0.38) ALDH1A1CCR5MAPT
SCHEMBL3598390 0.86 PDE4A (0.41) POLBCCR5PDE4BMAPT
SCHEMBL3596388 0.85 SIGMAR1 (0.39) KDM4EALDH1A1CCR5MAPT
SCHEMBL3594810 0.85 MEN1 (0.39) POLBCCR5MAPT

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 4 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

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 KDM4E 1967/4885ALDH1A1 4118/4885POLB 4635/4885

“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.