SCHEMBL11935904

SCHEMBL11935904

Cc1ccc2nc(-c3ccc(NCc4ccc(NS(=O)(=O)C(C)(C)C)cc4)cc3)sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.61
ALDH1A1 P00352 7/20 0.61
MAPT P10636 7/20 0.61
HPGD P15428 6/20 0.61
KDM4E B2RXH2 5/20 0.61
GAA P10253 4/20 0.61
GLA P06280 3/20 0.61
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 2/20 0.58
HSP90AA1 P07900 1/20 0.57
NFKB1 P19838 1/20 0.55
HTT P42858 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
APP P05067 2/20 0.55
SNCA P37840 1/20 0.55

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
SCHEMBL13565303 0.86 RORC (0.61) RORCALDH1A1MAPTHPGDKDM4E
SCHEMBL10116227 0.82 MAPT (0.66) RORCALDH1A1MAPTHPGDKDM4E
SCHEMBL11936071 0.82 APP (0.74) RORCALDH1A1MAPTHPGDKDM4E
SCHEMBL10605601 0.82 MAPT (0.63) RORCALDH1A1MAPTHPGDKDM4E
SCHEMBL10600442 0.81 SMN1; SMN2 (0.67) RORCALDH1A1MAPTHPGDKDM4E
SCHEMBL13565310 0.81 RORC (0.54) RORCALDH1A1MAPTHPGDKDM4E
SCHEMBL13105744 0.80 CA1 (0.55) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL24185842 0.78 RORC (0.86) RORCALDH1A1MAPTHPGDKDM4E
SCHEMBL13565007 0.78 CA1 (0.59) ALDH1A1MAPTHPGDKDM4EGAA
SCHEMBL7258969 0.78 MAPT (0.74) RORCALDH1A1MAPTHPGDKDM4E

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 12 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-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 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-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2010-10-21 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (4 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 RORC 1641/4885ALDH1A1 3842/4885MAPT 3293/4885
US-20100273842-A1 AMINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R RORC 980/4885ALDH1A1 3735/4885MAPT 4441/4885
US-20100267945-A1 AMINE DERIVATIVE HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R RORC 1851/4885ALDH1A1 4013/4885MAPT 3442/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R RORC 972/4885ALDH1A1 3361/4885MAPT 4321/4885

“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.