SCHEMBL4032848

SCHEMBL4032848

COc1ccnc2c1cc1c(OC3CCCCO3)cnc(NS(=O)(=O)c3ccc(C)cc3)n12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
PAX8 Q06710 1/20 0.37
SCN9A Q15858 5/20 0.35
SLC40A1 Q9NP59 1/20 0.34
PDE4B Q07343 2/20 0.34
EDNRA P25101 2/20 0.34
NPC1 O15118 1/20 0.33
NOD2 Q9HC29 1/20 0.33
MCOLN2 Q8IZK6 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
MCOLN1 Q9GZU1 1/20 0.33
APLNR P35414 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4035674 0.91 KMT2A (0.34) RAB9ALMNATP53PAX8SLC40A1
SCHEMBL4034210 0.86 ALDH1A1 (0.40) LMNATP53SLC40A1EDNRAALDH1A1
SCHEMBL4816387 0.84 ALDH1A1 (0.35) LMNATP53PDE4BNPC1ALDH1A1
SCHEMBL4031312 0.79 SLC40A1 (0.42) RAB9ALMNATP53SLC40A1NPC1
SCHEMBL14269082 0.76 LMNA (0.34) RAB9ALMNATP53PAX8SCN9A
SCHEMBL4033384 0.73 SLC40A1 (0.45) LMNATP53SCN9ASLC40A1NPC1
SCHEMBL14269064 0.67 RCE1 (0.35) RAB9ALMNATP53SLC40A1NPC1
SCHEMBL4029308 0.66 MEN1 (0.47) RAB9ALMNATP53SLC40A1NPC1
SCHEMBL4825123 0.66 ALDH1A1 (0.39) LMNATP53SLC40A1ALDH1A1TSHR
SCHEMBL14269084 0.66 SLC40A1 (0.35) RAB9ALMNATP53PAX8SLC40A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307454-B1 DERIVATIVES OF VARIOLIN B PHARMA MAR SA (ES) 2009-06-03 EP disclosed
US-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 US disclosed
US-20040058939-A1 Derivatives of variolin b PHARMA MAR, S.A. (ES) 2004-03-25 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 (2 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-20080033001-A1 Derivatives of Variolin B ARG2, SDHB, OAT RAB9A 2809/4885LMNA 2521/4885TP53 251/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP RAB9A 1733/4885LMNA 2548/4885TP53 239/4885

“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.