SCHEMBL4431014

SCHEMBL4431014

O=S(=O)(c1ccc(Oc2ccncc2)cc1)N1CC2C([CH]c3ccc(N4CCOCC4)c(F)c3)C2C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
KDM1A O60341 1/20 0.38
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK13 O15264 1/20 0.35
SLC6A9 P48067 1/20 0.35
GAA P10253 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
SCHEMBL4418783 0.91 KMT2A (0.42) LMNASMN1; SMN2KMT2AHTTTSHR
SCHEMBL4421900 0.88 LMNA (0.40) LMNASMN1; SMN2KMT2AHTTTSHR
SCHEMBL4424440 0.86 HSD11B1 (0.41) LMNASMN1; SMN2KMT2AKDM1AKDM4E
SCHEMBL4421354 0.85 SLC6A9 (0.43) LMNASMN1; SMN2KMT2AHTTKDM4E
SCHEMBL4415378 0.81 HTT (0.45) LMNASMN1; SMN2KMT2AHTTTSHR
SCHEMBL4415375 0.80 HTT (0.53) LMNASMN1; SMN2KMT2AHTTMAPK1
SCHEMBL4420883 0.76 LMNA (0.45) LMNASMN1; SMN2ALDH1A1SLC6A9GAA
SCHEMBL4430192 0.74 MCOLN3 (0.44) LMNASMN1; SMN2KMT2AHTTTSHR
SCHEMBL2170672 0.73 KMT2A (0.41) LMNASMN1; SMN2KMT2AHTTTSHR
SCHEMBL4424423 0.73 ALDH1A1 (0.40) LMNASMN1; SMN2KDM1AKDM4EALDH1A1

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-7473787-B2 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC (US) 2009-01-06 US disclosed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 LMNA 4565/4885SMN1; SMN2 4003/4885KMT2A 1892/4885

“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.