SCHEMBL4029308

SCHEMBL4029308

Cc1ccc(S(=O)(=O)Nc2ncc(O)c3cc4c(Cl)ccnc4n23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 2/20 0.47
HSP90AA1 P07900 1/20 0.47
RAB9A P51151 1/20 0.47
ADAM17 P78536 1/20 0.47
KLF5 Q13887 1/20 0.47
GAA P10253 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 1/20 0.45
SLC40A1 Q9NP59 1/20 0.43
TDP1 Q9NUW8 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
GFER P55789 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4031312 0.85 SLC40A1 (0.42) MEN1KMT2ANPC1HSP90AA1RAB9A
SCHEMBL4031970 0.82 SLC40A1 (0.46) MEN1KMT2ANPC1HSP90AA1RAB9A
SCHEMBL4030515 0.81 TDP1 (0.52) MEN1KMT2ANPC1HSP90AA1RAB9A
SCHEMBL4035674 0.77 KMT2A (0.34) MEN1KMT2ANPC1HSP90AA1RAB9A
SCHEMBL21490844 0.70 PTGDR2 (0.46) MEN1KMT2ANPC1HSP90AA1RAB9A
SCHEMBL4029234 0.70 KMT2A (0.49) MEN1KMT2ANPC1HSP90AA1RAB9A
SCHEMBL13812016 0.69 SLC40A1 (0.42) MEN1KMT2ANPC1HSP90AA1RAB9A
SCHEMBL1749021 0.68 PTGDR2 (0.44) MEN1KMT2ANPC1HSP90AA1RAB9A
SCHEMBL4033384 0.67 SLC40A1 (0.45) MEN1KMT2ANPC1GAAALDH1A1
SCHEMBL4028536 0.66 CDK9 (0.45) MEN1KMT2ANPC1HSP90AA1RAB9A

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 MEN1 2136/4885KMT2A 1287/4885NPC1 2437/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP MEN1 2386/4885KMT2A 1337/4885NPC1 2710/4885

“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.