SCHEMBL6506344

SCHEMBL6506344

O=C1N=C(NC2CC3C=CC2C3)SC1CCOc1ccccc1Cl

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL6389758 0.85 RECQL (0.31)
SCHEMBL6426507 0.84 GABRP (0.31) ALDH1A1
SCHEMBL6498822 0.83 PPARG (0.33)
SCHEMBL6499622 0.83 HPGD (0.35) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL3093033 0.81 GAA (0.34) MEN1KMT2APKMNPC1ALDH1A1
SCHEMBL6510626 0.79 TDP1 (0.34) MEN1KMT2APKMRAB9AALDH1A1
SCHEMBL6506781 0.79 P2RX7 (0.39) NPC1RAB9AALDH1A1
SCHEMBL6500555 0.77 L3MBTL1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL6503874 0.77 KMT2A (0.36) KMT2AALDH1A1
SCHEMBL1605406 0.77 EPHX2 (0.32) ALDH1A1

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 CISD1 2735/4885MEN1 979/4885KMT2A 3213/4885

“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.