SCHEMBL4110274

SCHEMBL4110274

COc1ccccc1CNc1ccc2cc(NS(=O)(=O)N(C)C)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
HTT P42858 2/20 0.51
POLB P06746 1/20 0.51
CYP1A2 P05177 8/20 0.49
CYP3A4 P08684 8/20 0.49
CYP2C19 P33261 7/20 0.49
CYP2D6 P10635 7/20 0.49
USP2 O75604 5/20 0.49
CLK4 Q9HAZ1 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX12 P18054 2/20 0.47
BRD4 O60885 3/20 0.47
MAPK1 P28482 3/20 0.46
HSD17B10 Q99714 3/20 0.46
CYP2C9 P11712 3/20 0.46
HIF1A Q16665 2/20 0.46
ALDH1A1 P00352 4/20 0.45
LMNA P02545 4/20 0.45
TP53 P04637 2/20 0.45

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
SCHEMBL3272974 0.85 CYP1A2 (0.48) KDM4ECYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL3267065 0.85 MEN1 (0.53) KDM4EHTTCYP1A2CYP3A4CYP2C19
SCHEMBL4123545 0.82 CYP1A2 (0.47) KDM4ECYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL3268616 0.80 PDGFRB (0.53) KDM4EHTTCYP1A2CYP3A4CYP2C19
SCHEMBL3267015 0.79 MEN1 (0.47) KDM4EHTTCYP1A2CYP3A4CYP2C19
SCHEMBL3266721 0.78 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6USP2
SCHEMBL3266911 0.78 AURKA (0.54) KDM4EHTTCYP1A2CYP3A4CYP2C19
SCHEMBL3268223 0.77 QRFPR (0.50) KDM4EHTTCYP1A2CYP3A4CYP2C19
SCHEMBL3266890 0.77 AURKA (0.48) CYP1A2CYP3A4CYP2C19CYP2D6USP2
SCHEMBL3266795 0.77 CYP2D6 (0.47) KDM4EHTTCYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350028-B2 2-aminoquinolines HOFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-20090233927-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 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-20090233927-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B KDM4E 1211/4885HTT 431/4885POLB 2861/4885

“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.