SCHEMBL6000156

SCHEMBL6000156

O=c1oc2c(Sc3ccc4ccccc4c3)cc(O)c(Sc3ccc4ccccc4c3)c2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.35
DHFR P00374 2/20 0.35
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
G6PD P11413 1/20 0.32
CCR6 P51684 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
RHEB Q15382 1/20 0.31
PTGER3 P43115 1/20 0.30
XDH P47989 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TYR P14679 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
SCHEMBL6002201 0.96 BCL2 (0.35) TYMSDHFRNPC1CYP1A2CYP2C9
SCHEMBL6000101 0.79 MAPT (0.44) TYMSDHFRNPC1CYP1A2CYP2C9
SCHEMBL6001582 0.66 MAPT (0.47) SIRT1MEN1MAPTKMT2AHPGD
SCHEMBL14464897 0.64 MAPT (0.41) CYP2C19MEN1MAPTKMT2ATYR
SCHEMBL6962447 0.63 SMN1; SMN2 (0.41) CYP1A2MEN1MAPTKMT2A
SCHEMBL30548745 0.63 MAP2K2 (0.48) TYMSCYP1A2SIRT2SIRT1SIRT3
SCHEMBL6001395 0.62 MAPT (0.45) TYMSNPC1CYP1A2RAB9ASIRT2
SCHEMBL6002056 0.62 MAPT (0.44) DHFRMEN1MAPTKMT2ATYR
SCHEMBL761802 0.61 LMNA (0.57) CYP1A2SIRT2SIRT1SIRT3G6PD
SCHEMBL30832956 0.61 LMNA (0.57) CYP1A2SIRT2SIRT1SIRT3G6PD

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-20060234987-A1 Neuroprotective benzo 1 3 oxathiol 2 ones JAQUITH JAMES B 2006-10-19 US disclosed
WO-2005012281-A1 NEUROPROTECTIVE BENZO[1,3]OXATHOL-2-ONES AEGERA THERAPEUTICS INC. (CA) 2005-02-10 WO 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-20060234987-A1 Neuroprotective benzo 1 3 oxathiol 2 ones NLN, SMN1; SMN2, TXN2 TYMS 3420/4885DHFR 2813/4885NPC1 549/4885

“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.