SCHEMBL4027701

SCHEMBL4027701

Cc1ccc(S(=O)(=O)Nc2nccc3cc4cccnc4n23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KMT2A Q03164 4/20 0.55
TDP1 Q9NUW8 4/20 0.55
SLC40A1 Q9NP59 4/20 0.55
LMNA P02545 3/20 0.55
CKS1B P61024 3/20 0.55
SKP2 Q13309 3/20 0.55
HTT P42858 3/20 0.55
MAPT P10636 2/20 0.55
AGTR1 P30556 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
MITF O75030 1/20 0.55
S1PR4 O95977 1/20 0.55
S1PR1 P21453 1/20 0.55
OPRK1 P41145 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.53
ENPP3 O14638 1/20 0.49
MEN1 O00255 3/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL4031970 0.81 SLC40A1 (0.46) ALDH1A1KMT2ATDP1SLC40A1LMNA
SCHEMBL4030515 0.80 TDP1 (0.52) ALDH1A1KMT2ATDP1SLC40A1LMNA
SCHEMBL4033384 0.79 SLC40A1 (0.45) ALDH1A1KMT2ATDP1SLC40A1LMNA
SCHEMBL4029234 0.75 KMT2A (0.49) ALDH1A1KMT2ATDP1SLC40A1LMNA
SCHEMBL4035865 0.74 MTNR1A (0.40) ALDH1A1KMT2ATDP1SLC40A1MAPT
SCHEMBL14269055 0.72 SLC22A12 (0.38) ALDH1A1KMT2AENPP3MEN1L3MBTL1
SCHEMBL1713506 0.72 L3MBTL1 (0.62) ALDH1A1KMT2ATDP1SLC40A1LMNA
SCHEMBL4033281 0.72 L3MBTL1 (0.65) ALDH1A1KMT2ATDP1SLC40A1LMNA
SCHEMBL4471796 0.71 TDP1 (1.00) ALDH1A1KMT2ATDP1SLC40A1LMNA
SCHEMBL13812083 0.71 KMT2A (0.47) ALDH1A1KMT2ATDP1SLC40A1LMNA

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 9 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
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

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

“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.