SCHEMBL960413

SCHEMBL960413

N#CCCNC(=O)c1cccc(Br)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
LMNA P02545 2/20 0.58
TP53BP1 Q12888 1/20 0.57
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.47

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
SCHEMBL19123098 0.82 SMN1; SMN2 (0.46) L3MBTL1NPC1RAB9ALMNAMEN1
SCHEMBL16136527 0.82 SMN1; SMN2 (0.46) L3MBTL1NPC1RAB9ATP53BP1MEN1
SCHEMBL12756951 0.82 NPC1 (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7126373 0.82 TP53BP1 (0.57) L3MBTL1NPC1RAB9ATP53BP1MEN1
SCHEMBL1663227 0.81 L3MBTL1 (0.76) L3MBTL1NPC1RAB9ALMNATP53BP1
SCHEMBL9491289 0.81 LMNA (0.83) L3MBTL1NPC1RAB9ALMNATP53BP1
SCHEMBL6290094 0.81 L3MBTL1 (0.76) L3MBTL1NPC1RAB9ALMNATP53BP1
SCHEMBL1928397 0.81 L3MBTL1 (1.00) L3MBTL1NPC1RAB9ALMNATP53BP1
Water SCHEMBL27826283 0.81 SMN1; SMN2 (0.45) L3MBTL1NPC1RAB9ALMNAMEN1
SCHEMBL3455667 0.80 GAA (0.57) NPC1RAB9ALMNAKMT2ACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 L3MBTL1 4361/4885NPC1 2153/4885RAB9A 1785/4885

“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.