SCHEMBL11936037

SCHEMBL11936037

Cc1cc(C(=O)NC(C)C)ccc1NCc1ccc(NS(=O)(=O)C(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
ACLY P53396 1/20 0.41
HDAC8 Q9BY41 3/20 0.39
NR1H4 Q96RI1 2/20 0.39
EPHX2 P34913 1/20 0.39
NAMPT P43490 3/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
PPARA Q07869 2/20 0.36
PPARG P37231 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL17090103 0.87 ALDH1A1 (0.43) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL13565334 0.87 ALDH1A1 (0.41) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL10116414 0.85 MAPT (0.49) LMNAALDH1A1ACLYNR1H4MAPT
SCHEMBL11935296 0.83 NAMPT (0.44) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL17090059 0.82 LMNA (0.40) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL17090464 0.80 LMNA (0.35) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL11936138 0.80 ALDH1A1 (0.49) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL13565371 0.79 PTK2 (0.40) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL17090459 0.78 GHSR (0.35) LMNAALDH1A1CYP1A2ALOX15CYP2C19
SCHEMBL13565044 0.78 MAPT (0.47) LMNAALDH1A1CA1CA2PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (2 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R LMNA 3149/4885ALDH1A1 3842/4885CYP1A2 1578/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R LMNA 3184/4885ALDH1A1 3361/4885CYP1A2 1378/4885

“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.