SCHEMBL3585336

SCHEMBL3585336

COc1cc(C(=O)N2CCC(C(=O)O)CC2)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 4/20 0.37
PKM P14618 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
CCR5 P51681 1/20 0.36
HTT P42858 1/20 0.35
RORC P51449 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ENPP2 Q13822 1/20 0.35
MEN1 O00255 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3585659 0.94 KMT2A (0.41) ALDH1A1KDM4EKMT2APKMTAAR1
SCHEMBL3598761 0.93 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2ACCR5
SCHEMBL3587526 0.91 CCR5 (0.39) ALDH1A1KDM4EKMT2ACCR5MEN1
SCHEMBL3590794 0.89 KDM4E (0.35) ALDH1A1KDM4ECCR5PDE4B
SCHEMBL3592312 0.88 MAPT (0.37) ALDH1A1KMT2ACCR5MEN1
SCHEMBL3599012 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EKMT2A
SCHEMBL3587915 0.88 MAPK1 (0.41) ALDH1A1KMT2APKMCCR5MEN1
SCHEMBL14160060 0.87 CACNA1C (0.38) ALDH1A1CCR5ACHE
SCHEMBL3598390 0.87 PDE4A (0.41) KMT2ACCR5PDE4APDE4BPDE4C
SCHEMBL3596388 0.87 SIGMAR1 (0.39) ALDH1A1KDM4EKMT2ACCR5HTT

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 ALDH1A1 4118/4885KDM4E 1967/4885KMT2A 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.