SCHEMBL4415378

SCHEMBL4415378

O=S(=O)(c1ccc(Oc2ccncc2)cc1)N1CC2C(CNc3ccc(N4CCOCC4)c(F)c3)C2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 4/20 0.41
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 3/20 0.39
MAPK1 P28482 1/20 0.39
MAPK13 O15264 1/20 0.39
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NAMPT P43490 1/20 0.38
MAOB P27338 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
STAT3 P40763 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL4425059 0.92 KMT2A (0.49) HTTSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL6509183 0.91 KMT2A (0.40) HTTSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL4412329 0.91 KMT2A (0.42) HTTSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL4415660 0.88 ALDH1A1 (0.40) HTTSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL4413584 0.88 ALDH1A1 (0.48) SMN1; SMN2LMNAKMT2AALDH1A1GAA
SCHEMBL4419968 0.87 L3MBTL1 (0.46) SMN1; SMN2LMNAKMT2AALDH1A1MEN1
SCHEMBL4421518 0.87 MAPT (0.42) SMN1; SMN2KMT2AALDH1A1MEN1MAPK1
SCHEMBL4414455 0.85 EPHX2 (0.48) HTTSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL4417872 0.85 ALDH1A1 (0.45) HTTSMN1; SMN2LMNAKMT2AALDH1A1
SCHEMBL4414933 0.85 KMT2A (0.43) HTTSMN1; SMN2LMNAKMT2AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680124-A4 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2009-05-13 EP claimed
JP-2007508374-A 2007-04-05 JP claimed
EP-1680124-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS Pfizer Products Incorporated (US) 2006-07-19 EP claimed
US-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors PFIZER INC. 2005-05-05 US claimed
WO-2005037216-A2 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PRODUCTS INC. (US) 2005-04-28 WO claimed
EP-1680124-B1 BICYCLIC [3.1.0] DERIVATIVES AS GLYCINE TRANSPORTER INHIBITORS PFIZER PROD INC (US) 2017-05-31 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-20050096375-A1 Bicyclic [3.1.0] derivatives as glycine transporter inhibitors SLC6A5, SLC1A5, SLC6A3 HTT 1090/4885SMN1; SMN2 4003/4885LMNA 4565/4885

“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.