SCHEMBL3593372

SCHEMBL3593372

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccc4ccccc4c3)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MCHR1 Q99705 8/20 0.38
ENPP2 Q13822 3/20 0.36
ICMT O60725 1/20 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
UTS2R Q9UKP6 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
HRH2 P25021 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
SCHEMBL3596047 0.94 SIGMAR1 (0.40) SIGMAR1HRH2
SCHEMBL3588625 0.94 HRH2 (0.37) MEN1KMT2AMCHR1PDE4APDE4B
SCHEMBL16327032 0.93 MCHR1 (0.37) MEN1KMT2AMCHR1ENPP2ICMT
SCHEMBL3599682 0.93 CHRM4 (0.36) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL3586599 0.92 PRKAA2 (0.38) PDE4APDE4BPDE4CPDE4DSIGMAR1
SCHEMBL3591151 0.91 SLC22A12 (0.35) MEN1KMT2AENPP2SIGMAR1HRH2
SCHEMBL3585685 0.91 KMT2A (0.41) KMT2ASIGMAR1HRH2
SCHEMBL3589171 0.91 ALDH1A1 (0.36) SIGMAR1HRH2
SCHEMBL3594534 0.91 GPR6 (0.35) MCHR1SIGMAR1HRH2
SCHEMBL3587512 0.91 GPR6 (0.36) UTS2RSIGMAR1HRH2

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 3 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
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 MEN1 3628/4885KMT2A 4721/4885MCHR1 2863/4885

“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.