SCHEMBL8104854

SCHEMBL8104854

Cc1cc(NCc2ccc(Cl)c(Cl)c2)c2cccc(OCCNS(=O)(=O)c3ccccc3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD38 P28907 12/20 0.55
GLRA3 O75311 2/20 0.49
GLRB P48167 1/20 0.49
SLC6A9 P48067 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KCNH2 Q12809 1/20 0.41
GAA P10253 1/20 0.41
CNR1 P21554 1/20 0.39

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
SCHEMBL8105731 0.92 CD38 (0.52) CD38GLRA3GLRBCYP3A4MAPT
SCHEMBL8108289 0.92 CD38 (0.52) CD38GLRA3GLRBCYP3A4MAPT
SCHEMBL3048795 0.90 CD38 (0.56) CD38CYP3A4KCNH2
SCHEMBL8109003 0.89 CD38 (0.59) CD38CYP3A4KCNH2
SCHEMBL8107267 0.89 CD38 (0.59) CD38CYP3A4KCNH2
SCHEMBL8115819 0.87 CD38 (0.53) CD38CYP3A4KCNH2CNR1
SCHEMBL8099010 0.86 CD38 (0.55) CD38CYP3A4KCNH2
SCHEMBL3060897 0.86 CD38 (0.55) CD38CYP3A4KCNH2
SCHEMBL3048995 0.86 CD38 (0.58) CD38CYP3A4KCNH2
SCHEMBL3055540 0.83 CD38 (0.62) CD38CYP3A4KCNH2

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 5 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-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
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
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 CD38 779/4885GLRA3 683/4885GLRB 435/4885

“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.