SCHEMBL3051573

SCHEMBL3051573

Cc1cc(Cl)c2cccc(S(=O)(=O)NC(C)C)c2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CRHR1 P34998 1/20 0.45
CD38 P28907 1/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NR3C1 P04150 3/20 0.40
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 1/20 0.39
GSTO1 P78417 1/20 0.38
SLC40A1 Q9NP59 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
SCHEMBL3058866 0.80 MAPT (0.54) NR4A2MAPTL3MBTL1CRHR1CD38
SCHEMBL3055102 0.80 CD38 (0.62) NR4A2CD38
SCHEMBL3054520 0.79 CD38 (0.60) NR4A2MAPTL3MBTL1CRHR1CD38
SCHEMBL3061296 0.77 MAPT (0.50) NR4A2MAPTL3MBTL1CRHR1CD38
SCHEMBL16000104 0.74 CYP3A4 (0.55) MAPTKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL3642682 0.74 L3MBTL1 (0.50) NR4A2MAPTL3MBTL1CRHR1CD38
SCHEMBL3063558 0.71 NR4A2 (0.71) NR4A2MAPTL3MBTL1CRHR1CD38
SCHEMBL12132457 0.70 KDM4E (0.56) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4031288 0.70 NR3C1 (0.52) KDM4EALDH1A1LMNASMN1; SMN2NR3C1
SCHEMBL318514 0.70 MAPT (0.64) NR4A2MAPTL3MBTL1CRHR1KDM4E

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-8420670-B2 4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2013-04-16 US disclosed
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-09-02 US disclosed
EP-2178842-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2010-04-28 EP disclosed
WO-2009024611-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2009-02-26 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-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GDI2, GDI1, NQO2 NR4A2 3235/4885MAPT 2051/4885L3MBTL1 4811/4885

“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.