SCHEMBL6568486

SCHEMBL6568486

O=S(=O)(NCCN1CCCC1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.72
HTR7 P34969 4/20 0.65
KDM4E B2RXH2 2/20 0.62
LMNA P02545 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
L3MBTL1 Q9Y468 2/20 0.60
MBTD1 Q05BQ5 1/20 0.60
KDM1A O60341 1/20 0.57
SFRP1 Q8N474 1/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
PARP1 P09874 2/20 0.55

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
SCHEMBL4196782 0.98 SIGMAR1 (0.73) SIGMAR1HTR7KDM4ELMNASMN1; SMN2
SCHEMBL5198457 0.90 HTR7 (0.74) SIGMAR1HTR7KDM4ELMNASMN1; SMN2
SCHEMBL17374138 0.87 HTR7 (0.66) SIGMAR1HTR7KDM4ELMNASMN1; SMN2
SCHEMBL4617661 0.87 SFRP1 (0.61) SIGMAR1HTR7KDM4ELMNASMN1; SMN2
SCHEMBL3719058 0.86 PKM (0.69) HTR7ALDH1A1PKM
SCHEMBL3889428 0.86 HTR7 (0.68) SIGMAR1HTR7KDM4ELMNASMN1; SMN2
SCHEMBL29172771 0.86 HTR7 (0.60) SIGMAR1HTR7KDM4ELMNASMN1; SMN2
SCHEMBL13297961 0.84 L3MBTL1 (0.83) SIGMAR1KDM4ELMNASMN1; SMN2GAA
SCHEMBL6291993 0.84 SIGMAR1 (0.68) SIGMAR1HTR7KDM4ELMNASMN1; SMN2
SCHEMBL3330416 0.84 SIGMAR1 (0.73) SIGMAR1KDM4ELMNASMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101426772-B Benzotriazine inhibitors of kinases TARGEGEN INC 2014-01-08 CN disclosed
US-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2011-09-01 US disclosed
EP-1443041-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP 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-20110212077-A1 BI-ARYL META-PYRIMIDINE INHIBITORS OF KINASES JAK2, TYK2, JAK3 SIGMAR1 1178/4885HTR7 1626/4885KDM4E 1689/4885

“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.