SCHEMBL4097398

SCHEMBL4097398

CN(C1CC1)S(=O)(=O)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PFKFB3 Q16875 4/20 0.37
GLP1R P43220 1/20 0.37
NAE1 Q13564 3/20 0.37
UBA3 Q8TBC4 3/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
FADS1 O60427 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HPGDS O60760 1/20 0.35
CDK1 P06493 1/20 0.35
PDPK1 O15530 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
EGFR P00533 1/20 0.35

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
SCHEMBL4097503 0.94 MET (0.39) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL3412817 0.91 SMN1; SMN2 (0.42) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL4105895 0.86 PFKFB3 (0.37) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL4104986 0.86 LMNA (0.39) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL4100057 0.85 FADS1 (0.41) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL3401353 0.85 PFKFB3 (0.41) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL7602597 0.84 CA1 (0.49) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL4101413 0.84 FADS1 (0.46) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL4106792 0.84 HPGDS (0.43) KDM4ELMNAALOX15TSHRSMN1; SMN2
SCHEMBL5131994 0.84 BRS3 (0.39) KDM4ELMNAALOX15TSHRSMN1; SMN2

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-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 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 (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-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A KDM4E 1399/4885LMNA 2383/4885ALOX15 2553/4885

“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.