SCHEMBL11935932

SCHEMBL11935932

NC(=O)c1cccc(NCc2ccc(N)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC1 Q13547 1/20 0.56
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
FFAR1 O14842 1/20 0.48
PPARA Q07869 8/20 0.47
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
MITF O75030 1/20 0.45
PARP1 P09874 3/20 0.45
PARP10 Q53GL7 3/20 0.45
PARP15 Q460N3 2/20 0.44
PARP14 Q460N5 2/20 0.44

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
SCHEMBL28761689 0.84 GRK2 (0.57) HDAC8HDAC6HDAC1MEN1KMT2A
SCHEMBL11936011 0.80 PPARA (0.45) HDAC8HDAC6HDAC1FFAR1PPARA
SCHEMBL10055040 0.79 FFAR1 (0.68) FFAR1PPARA
SCHEMBL2186756 0.79 CYP19A1 (0.50) MEN1KMT2A
SCHEMBL17090497 0.78 HDAC1 (0.47) HDAC8HDAC6HDAC1MEN1KMT2A
SCHEMBL17090552 0.78 HDAC1 (0.50) HDAC8HDAC6HDAC1MEN1KMT2A
Hydrochloric Acid SCHEMBL456625 0.77 CYP19A1 (0.48) MEN1KMT2A
SCHEMBL11936013 0.77 EPHX1 (0.55)
SCHEMBL18459485 0.76 PPARA (0.58) HDAC1FFAR1PPARA
SCHEMBL15458722 0.76 HIF1A (0.67) HDAC8HDAC6KMT2AFFAR1PPARA

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-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-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 HDAC8 982/4885HDAC6 1535/4885HDAC1 1812/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R HDAC8 720/4885HDAC6 1150/4885HDAC1 1104/4885

“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.