SCHEMBL3601934

SCHEMBL3601934

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3cccnc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PTGDR2 Q9Y5Y4 3/20 0.35
CCR5 P51681 2/20 0.35
GNRHR P30968 1/20 0.34
MAPK1 P28482 1/20 0.33
QPCT Q16769 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
ACHE P22303 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SCN9A Q15858 1/20 0.32
HRH2 P25021 1/20 0.32
KCNJ1 P48048 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
SCHEMBL3596388 0.93 SIGMAR1 (0.39) SMN1; SMN2PTGDR2CCR5MAPK1SIGMAR1
SCHEMBL3599687 0.90 KMT2A (0.40) PTGDR2CCR5MAPK1SIGMAR1ACHE
SCHEMBL3598750 0.90 ALDH1A1 (0.38) ATMCCR5MAPK1SIGMAR1SCN8A
SCHEMBL3590665 0.90 MAPK1 (0.37) SMN1; SMN2CCR5MAPK1SIGMAR1ACHE
SCHEMBL3592832 0.90 KMT2A (0.40) PTGDR2CCR5MAPK1SIGMAR1ACHE
SCHEMBL3592620 0.90 MAPK1 (0.37) SMN1; SMN2CCR5MAPK1SIGMAR1ACHE
SCHEMBL3598755 0.90 ALDH1A1 (0.38) ATMCCR5MAPK1SIGMAR1SCN8A
SCHEMBL3591379 0.90 HRH2 (0.38) SMN1; SMN2CCR5MAPK1SIGMAR1ACHE
SCHEMBL3601167 0.90 ACHE (0.37) SMN1; SMN2CCR5SIGMAR1ACHEKMT2A
SCHEMBL3589013 0.90 ALDH1A1 (0.37) SMN1; SMN2CCR5SIGMAR1ACHEKMT2A

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 ATM 4195/4885SMN1; SMN2 4722/4885PTGDR2 1785/4885

“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.