SCHEMBL6508258

SCHEMBL6508258

O=C(CC1SC(NC2CC3C=CC2C3)=NC1=O)Nc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 5/20 0.41
KDM4E B2RXH2 2/20 0.41
NSD2 O96028 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
RAB9A P51151 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1606025 0.91 MAPT (0.46) MAP2K1MAPTKDM4ENSD2GAA
SCHEMBL6429151 0.91 CYP2C19 (0.41) MAP2K1MAPTKDM4ENSD2GAA
SCHEMBL6427444 0.86 CYP2C19 (0.41) MAPTKDM4ENSD2GAAKMT2A
SCHEMBL6427276 0.83 CYP2C19 (0.56) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL6426304 0.83 EPHX2 (0.34) GAATSHRKMT2AMEN1RAB9A
SCHEMBL6501293 0.82 MEN1 (0.32) KDM4EGAATSHRKMT2AMEN1
SCHEMBL6426946 0.82 P2RX7 (0.44) MAPTKDM4ETSHRKMT2AMEN1
SCHEMBL6427367 0.82 MAPT (0.37) HTTMAPTKDM4EGAATSHR
SCHEMBL1605665 0.82 ALDH1A1 (0.39) HTTMAPTKDM4ENSD2GAA
SCHEMBL6426662 0.81 EPHX2 (0.36) MAPTKDM4EGAAKMT2AMEN1

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-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 MAP2K1 4527/4885HTT 3969/4885MAPT 3607/4885

“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.