SCHEMBL647369

SCHEMBL647369

COCCOc1ccc(C[N+]2([O-])CCC(O)(C(c3ccc(OC(F)(F)F)cc3)c3ccc(OC(F)(F)F)cc3)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 2/20 0.36
PDE2A O00408 7/20 0.35
ALDH1A1 P00352 1/20 0.34
MMP9 P14780 4/20 0.33
MMP8 P22894 4/20 0.33
MMP3 P08254 2/20 0.33
MMP7 P09237 2/20 0.33
MMP14 P50281 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP2 P08253 3/20 0.32
MMP13 P45452 3/20 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
SCHEMBL648546 0.82 RXRA (0.35) SLC6A4SLC6A2PDE2AMMP9MMP8
SCHEMBL645215 0.80 LMNA (0.51) SLC6A4SLC6A2ALDH1A1MMP9MMP8
SCHEMBL646602 0.79 CHRM5 (0.40) SLC6A4SLC6A2PDE2AMMP9MMP8
SCHEMBL645639 0.70 SLC6A2 (0.40) SLC6A4SLC6A2PDE2A
SCHEMBL14930469 0.66 HRH2 (0.46) KDM4ETDP1
SCHEMBL14930514 0.66 HRH2 (0.46) KDM4ETDP1
SCHEMBL8792330 0.66 KCNH2 (0.42) ALDH1A1MEN1KMT2AHCRTR1HCRTR2
SCHEMBL646801 0.66 SLC6A2 (0.43) SLC6A4SLC6A2PDE2AALDH1A1MMP9
SCHEMBL14930445 0.64 ACACB (0.46) KDM4ETDP1
SCHEMBL648828 0.63 BCHE (0.51) SLC6A4SLC6A2ALDH1A1LMNA

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-8119563-B2 N-substituted azacycles FMC CORPORATION (US) 2012-02-21 US disclosed
US-20090215821-A1 N-Substituted Azacycles FMC CORPORATION 2009-08-27 US 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-20090215821-A1 N-Substituted Azacycles DDT, UQCRB, DNMT1 SLC6A4 3145/4885SLC6A2 1979/4885PDE2A 175/4885

“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.