SCHEMBL4029234

SCHEMBL4029234

Cc1ccc(S(=O)(=O)Nc2nccc3c(I)c4cccnc4n23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
TDP1 Q9NUW8 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 5/20 0.47
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
CKS1B P61024 6/20 0.46
SKP2 Q13309 6/20 0.46
SLC40A1 Q9NP59 2/20 0.46
LMNA P02545 2/20 0.46
MITF O75030 1/20 0.46
S1PR4 O95977 1/20 0.46
MAPT P10636 1/20 0.46
S1PR1 P21453 1/20 0.46
AGTR1 P30556 1/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL4825123 0.79 ALDH1A1 (0.39) KMT2ATDP1MEN1ALDH1A1HTT
SCHEMBL4027701 0.75 ALDH1A1 (0.55) KMT2ATDP1MEN1ALDH1A1HTT
SCHEMBL4027434 0.74 L3MBTL1 (0.55) HTTKDM4EPKMENPP3POLB
SCHEMBL4030515 0.73 TDP1 (0.52) KMT2ATDP1MEN1ALDH1A1HTT
SCHEMBL4031970 0.71 SLC40A1 (0.46) KMT2ATDP1MEN1ALDH1A1HTT
SCHEMBL4029308 0.70 MEN1 (0.47) KMT2ATDP1MEN1ALDH1A1HTT
SCHEMBL4033384 0.70 SLC40A1 (0.45) KMT2ATDP1MEN1ALDH1A1HTT
SCHEMBL4031312 0.69 SLC40A1 (0.42) KMT2ATDP1MEN1ALDH1A1HTT
SCHEMBL20571831 0.68 KMT2A (0.66) KMT2ATDP1MEN1ALDH1A1HTT
SCHEMBL1778719 0.67 PTGDR2 (0.57) KMT2ATDP1MEN1HTTGAA

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 10 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-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US 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-20080033001-A1 Derivatives of Variolin B UNIVERSIDAD DE BARCELONA (ES) 2008-02-07 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 KMT2A 1287/4885TDP1 4038/4885MEN1 2136/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP KMT2A 1337/4885TDP1 4131/4885MEN1 2386/4885

“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.