SCHEMBL4108477

SCHEMBL4108477

O=S(=O)(Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1)NC1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PDE10A Q9Y233 3/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CDK1 P06493 2/20 0.36
FADS1 O60427 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
NAE1 Q13564 2/20 0.34
UBA3 Q8TBC4 2/20 0.34
GLP1R P43220 1/20 0.34

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
SCHEMBL4116784 0.93 CA1 (0.41) KDM4ELMNACA1CA2CDK1
SCHEMBL7602604 0.85 LMNA (0.50) KDM4ELMNAUSP2GAAMAPT
SCHEMBL4097503 0.83 MET (0.39) KDM4ELMNAUSP2GAAMAPT
SCHEMBL7602597 0.83 CA1 (0.49) KDM4ELMNAUSP2GAAMAPT
SCHEMBL4098123 0.82 DDB1 (0.39) KDM4ELMNAUSP2GAAMAPT
SCHEMBL3409274 0.82 JAK2 (0.42) KDM4ELMNAMAPTPDE10AJAK2
Hydrochloric Acid SCHEMBL4097363 0.82 CA1 (0.48) KDM4ELMNAUSP2GAAMAPT
SCHEMBL3412817 0.80 SMN1; SMN2 (0.42) KDM4ELMNAMAPTHSD17B10CA1
SCHEMBL4097398 0.78 KDM4E (0.38) KDM4ELMNACA1CA2CDK1
SCHEMBL4100050 0.78 MAPT (0.43) KDM4ELMNAMAPTPFKFB3TSHR

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 2383/4885USP2 3515/4885

“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.