SCHEMBL3592832

SCHEMBL3592832

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3cccc(F)c3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
HRH2 P25021 4/20 0.38
MAPK1 P28482 1/20 0.37
SLC2A1 P11166 1/20 0.36
GAA P10253 1/20 0.36
ACHE P22303 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
POLB P06746 1/20 0.34
MCHR1 Q99705 1/20 0.34
CCR5 P51681 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
SCHEMBL3599687 1.00 KMT2A (0.40) KMT2AHRH2MAPK1SLC2A1GAA
SCHEMBL3596388 0.94 SIGMAR1 (0.39) KMT2AMAPK1SIGMAR1PTGDR2CCR5
SCHEMBL3592620 0.94 MAPK1 (0.37) HRH2MAPK1ACHESIGMAR1CCR5
SCHEMBL3598755 0.94 ALDH1A1 (0.38) KMT2AHRH2MAPK1ACHESIGMAR1
SCHEMBL3590665 0.94 MAPK1 (0.37) HRH2MAPK1ACHESIGMAR1CCR5
SCHEMBL3598750 0.94 ALDH1A1 (0.38) KMT2AHRH2MAPK1ACHESIGMAR1
SCHEMBL3591379 0.94 HRH2 (0.38) KMT2AHRH2MAPK1ACHESIGMAR1
SCHEMBL3591374 0.94 HRH2 (0.38) KMT2AHRH2MAPK1ACHESIGMAR1
SCHEMBL3592739 0.93 MAPK1 (0.37) KMT2AHRH2MAPK1ACHESIGMAR1
SCHEMBL3602656 0.93 MAPK1 (0.37) KMT2AHRH2MAPK1ACHESIGMAR1

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 KMT2A 4721/4885HRH2 1095/4885MAPK1 703/4885

“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.