SCHEMBL4030515

SCHEMBL4030515

Cc1ccc(S(=O)(=O)Nc2ncc(O)c3cc4cccnc4n23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.52
KMT2A Q03164 6/20 0.52
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.52
SLC40A1 Q9NP59 3/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 2/20 0.52
AGTR1 P30556 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CKS1B P61024 2/20 0.52
SKP2 Q13309 2/20 0.52
MITF O75030 1/20 0.52
S1PR4 O95977 1/20 0.52
S1PR1 P21453 1/20 0.52
OPRK1 P41145 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50

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 0.81 MEN1 (0.47) TDP1KMT2AALDH1A1LMNASLC40A1
SCHEMBL4027701 0.80 ALDH1A1 (0.55) TDP1KMT2AALDH1A1LMNASLC40A1
SCHEMBL4031312 0.80 SLC40A1 (0.42) TDP1KMT2AALDH1A1LMNASLC40A1
SCHEMBL4034210 0.76 ALDH1A1 (0.40) TDP1KMT2AALDH1A1LMNASLC40A1
SCHEMBL16235273 0.73 TSHR (0.74) TDP1KMT2AALDH1A1LMNASLC40A1
SCHEMBL4029234 0.73 KMT2A (0.49) TDP1KMT2AALDH1A1LMNASLC40A1
SCHEMBL16235375 0.71 KMT2A (0.66) TDP1KMT2AALDH1A1LMNASLC40A1
SCHEMBL1713506 0.70 L3MBTL1 (0.62) TDP1KMT2AALDH1A1LMNASLC40A1
SCHEMBL16525796 0.69 L3MBTL1 (0.58) TDP1KMT2AALDH1A1LMNASLC40A1
SCHEMBL20457176 0.69 HSP90AA1 (0.78) TDP1KMT2AALDH1A1LMNASLC40A1

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 TDP1 4038/4885KMT2A 1287/4885ALDH1A1 1460/4885
US-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP TDP1 4131/4885KMT2A 1337/4885ALDH1A1 1470/4885

“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.