SCHEMBL3591379

SCHEMBL3591379

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccc(F)cc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
CCR5 P51681 1/20 0.35
SIGMAR1 Q99720 2/20 0.35
HRH1 P35367 2/20 0.34
CCR3 P51677 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK1 P28482 1/20 0.34
KCNJ1 P48048 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 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
SCHEMBL3591374 1.00 HRH2 (0.38) HRH2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL3596388 0.95 SIGMAR1 (0.39) SMN1; SMN2KDM4EALDH1A1HTTCCR5
SCHEMBL3592156 0.95 MEN1 (0.40) HRH2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL3589013 0.95 ALDH1A1 (0.37) HRH2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL3589007 0.95 ALDH1A1 (0.37) HRH2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL3592151 0.95 MEN1 (0.40) HRH2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL3602943 0.95 ACHE (0.37) HRH2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL3601167 0.95 ACHE (0.37) HRH2SMN1; SMN2KDM4EALDH1A1HTT
SCHEMBL3592832 0.94 KMT2A (0.40) HRH2CCR5SIGMAR1KMT2AMAPK1
SCHEMBL3599687 0.94 KMT2A (0.40) HRH2CCR5SIGMAR1KMT2AMAPK1

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 2 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
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 HRH2 1095/4885SMN1; SMN2 4722/4885KDM4E 1967/4885

“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.