SCHEMBL6506231

SCHEMBL6506231

Cc1ccc(C(=O)OCCC2SC(NC3CC4C=CC3C4)=NC2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
HTT P42858 2/20 0.35
POLB P06746 2/20 0.33
ALDH1A1 P00352 4/20 0.33
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
RECQL P46063 1/20 0.32
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30
MAPK1 P28482 1/20 0.30
EPHX2 P34913 1/20 0.30
ALOX5 P09917 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL6510626 0.91 TDP1 (0.34) KMT2APOLBALDH1A1RAB9AGAA
SCHEMBL6501528 0.89 L3MBTL1 (0.36) RAB9AMAPTKDM4EPKM
SCHEMBL6508566 0.89 ALDH1A1 (0.38) KMT2APOLBALDH1A1MAPTRECQL
SCHEMBL6503874 0.86 KMT2A (0.36) KMT2AALDH1A1KDM4E
SCHEMBL6501686 0.84 NPSR1 (0.39) KMT2AHTTPOLBALDH1A1RAB9A
SCHEMBL6508814 0.83 ATF1 (0.30)
SCHEMBL6500555 0.83 L3MBTL1 (0.35) KMT2APOLBALDH1A1MAPTGAA
SCHEMBL6503577 0.83 ALDH1A1 (0.34) KMT2AHTTALDH1A1RAB9AMAPT
SCHEMBL6499218 0.83 LMNA (0.35) KMT2AALDH1A1RAB9AGAAKDM4E
Trifluoroacetic Acid SCHEMBL6504699 0.82

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 KMT2A 3213/4885HTT 3969/4885POLB 1038/4885

“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.