SCHEMBL10133348

SCHEMBL10133348

Cn1cc(Br)c(-c2cccc(NC=O)c2)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 4/20 0.55
PTDSS1 P48651 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALPL P05186 1/20 0.36
BTK Q06187 1/20 0.36
HTR2A P28223 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.34
LIMK1 P53667 1/20 0.34
KMT2A Q03164 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
RIPK3 Q9Y572 1/20 0.34
CARM1 Q86X55 1/20 0.33

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
SCHEMBL13240036 0.80 L3MBTL1 (0.68) L3MBTL1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL10310318 0.79 L3MBTL1 (0.60) L3MBTL1ALDH1A1LMNASMN1; SMN2ALPL
SCHEMBL13240026 0.78 L3MBTL1 (0.65) L3MBTL1ALDH1A1LMNASMN1; SMN2ALPL
SCHEMBL2949815 0.78 L3MBTL1 (0.65) L3MBTL1ALDH1A1LMNASMN1; SMN2BTK
SCHEMBL13240038 0.77 L3MBTL1 (0.61) L3MBTL1ALDH1A1LMNASMN1; SMN2ALPL
SCHEMBL2950529 0.77 ALDH1A1 (0.65) L3MBTL1ALDH1A1LMNASMN1; SMN2ALPL
SCHEMBL2950810 0.77 ALDH1A1 (0.53) L3MBTL1ALDH1A1LMNASMN1; SMN2ALPL
SCHEMBL27589523 0.76 L3MBTL1 (0.63) L3MBTL1ALDH1A1LMNASMN1; SMN2HTR2A
SCHEMBL2950498 0.76 L3MBTL1 (0.45) L3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL2957431 0.76 L3MBTL1 (0.47) L3MBTL1ALDH1A1LMNASMN1; SMN2ALPL

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20110039802-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2011-02-17 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R L3MBTL1 2541/4885ALDH1A1 4599/4885PTDSS1 2808/4885
US-20110039802-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R L3MBTL1 3389/4885ALDH1A1 4517/4885PTDSS1 2980/4885

“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.