SCHEMBL4031312

SCHEMBL4031312

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 1/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 4/20 0.41
HTT P42858 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
NPC1 O15118 2/20 0.41
GFER P55789 2/20 0.41
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 2/20 0.39
HSP90AA1 P07900 1/20 0.39
ADAM17 P78536 1/20 0.39
KLF5 Q13887 1/20 0.39
ALOX12 P18054 1/20 0.39
LMNA P02545 4/20 0.38
TP53 P04637 2/20 0.38
MAPT P10636 3/20 0.38

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
SCHEMBL4029308 0.85 MEN1 (0.47) SLC40A1ALDH1A1SMN1; SMN2GAAHTT
SCHEMBL4033384 0.83 SLC40A1 (0.45) SLC40A1ALDH1A1SMN1; SMN2GAAHTT
SCHEMBL4030515 0.80 TDP1 (0.52) SLC40A1ALDH1A1SMN1; SMN2GAAHTT
SCHEMBL4032848 0.79 RAB9A (0.37) SLC40A1ALDH1A1HTTNPC1RAB9A
SCHEMBL4825123 0.75 ALDH1A1 (0.39) SLC40A1ALDH1A1SMN1; SMN2GAAHTT
SCHEMBL1777233 0.69 PTGDR2 (0.42) ALDH1A1SMN1; SMN2HTTKDM4EMEN1
SCHEMBL4029234 0.69 KMT2A (0.49) SLC40A1ALDH1A1SMN1; SMN2GAAHTT
SCHEMBL4035674 0.68 KMT2A (0.34) SLC40A1ALDH1A1GAAHTTKDM4E
SCHEMBL4821077 0.68 CCNT1 (0.46) ALDH1A1SMN1; SMN2GAAHTTMEN1
SCHEMBL4031970 0.68 SLC40A1 (0.46) SLC40A1ALDH1A1SMN1; SMN2GAAHTT

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 6 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
EP-1307454-A1 DERIVATIVES OF VARIOLIN B Universidad de Barcelona (ES) 2003-05-07 EP disclosed
WO-2002012240-A1 DERIVATIVES OF VARIOLIN B UNIVERSIDAD DE BARCELONA (ES) 2002-02-14 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 (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 SLC40A1 535/4885ALDH1A1 1460/4885SMN1; SMN2 3035/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP SLC40A1 793/4885ALDH1A1 1470/4885SMN1; SMN2 2855/4885

“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.