SCHEMBL3918006

SCHEMBL3918006

O=C1CN(c2ccc(C=Cc3cccnc3)cc2OCc2ccccc2)S(=O)(=O)N1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
THRB P10828 2/20 0.45
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
CYP19A1 P11511 3/20 0.41
PTPN1 P18031 2/20 0.40
MAPT P10636 4/20 0.39
POLB P06746 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HKDC1 Q2TB90 2/20 0.38
RAD1 O60671 1/20 0.38
CFTR P13569 1/20 0.38
APEX1 P27695 1/20 0.38
CASP6 P55212 1/20 0.38
KMT2A Q03164 1/20 0.38
RAD51 Q06609 1/20 0.38
GOPC Q9HD26 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL3918002 1.00 ALDH1A1 (0.45) ALDH1A1LMNATHRBCYP11B1CYP11B2
SCHEMBL3917279 0.92 PTPN1 (0.46) LMNAPTPN1SMN1; SMN2KDM4EKMT2A
SCHEMBL4443447 0.92 PTPN1 (0.46) LMNAPTPN1SMN1; SMN2KDM4EKMT2A
SCHEMBL3920265 0.86 PTPN1 (0.39) ALDH1A1LMNATHRBCYP11B1CYP11B2
SCHEMBL3920267 0.86 PTPN1 (0.39) ALDH1A1LMNATHRBCYP11B1CYP11B2
SCHEMBL3918290 0.84 PTPN1 (0.43) ALDH1A1LMNAPTPN1SMN1; SMN2KDM4E
SCHEMBL3918294 0.84 PTPN1 (0.43) ALDH1A1LMNAPTPN1SMN1; SMN2KDM4E
SCHEMBL3919349 0.83 KDM4E (0.53) ALDH1A1LMNAPTPN1SMN1; SMN2KDM4E
SCHEMBL3919344 0.83 KDM4E (0.53) ALDH1A1LMNAPTPN1SMN1; SMN2KDM4E
SCHEMBL3916346 0.83 PTPN1 (0.45) ALDH1A1PTPN1POLBKDM4EKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US disclosed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP disclosed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 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 (1 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-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC ALDH1A1 2621/4885LMNA 4825/4885THRB 1246/4885

“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.