SCHEMBL4514060

SCHEMBL4514060

CC(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.57
MAPT P10636 2/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
HTT P42858 1/20 0.50
NLRP1 Q9C000 1/20 0.50
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
DHODH Q02127 1/20 0.43
BCL6 P41182 1/20 0.43
KDM1A O60341 1/20 0.43

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
SCHEMBL990334 0.87 GRM5 (0.58) GRM5MAPTPOLBMAPK1MEN1
SCHEMBL4510521 0.86 GRM5 (0.53) GRM5MAPTPOLBMAPK1HDAC3
SCHEMBL4514156 0.86 MAPT (0.70) GRM5MAPTPOLBMAPK1MEN1
SCHEMBL4504976 0.83 GRM5 (0.53) GRM5MAPTPOLBMAPK1MEN1
SCHEMBL4518711 0.79 GRM5 (0.48) GRM5MAPTPOLBMAPK1HDAC3
SCHEMBL3635976 0.78 GRM5 (0.51) GRM5MAPTPOLBMAPK1RAB9A
SCHEMBL9195658 0.78 ALDH1A1 (0.39) GRM5POLBMAPK1MEN1RAB9A
SCHEMBL992711 0.78 GRM5 (0.76) GRM5MAPT
SCHEMBL15873609 0.77 GRM5 (0.54) GRM5POLBMEN1KMT2ASMN1; SMN2
SCHEMBL9198708 0.76 ALDH1A1 (0.44) GRM5MAPTPOLBMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286827-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2009-11-19 US disclosed
EP-2004624-A1 NOVEL BI-ARYL AMINES Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007113276-A1 NOVEL BI-ARYL AMINES NOVARTIS AG (CH) 2007-10-11 WO 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-20090286827-A1 NOVEL BI-ARYL AMINES NAT1, MAOB, CYP2B6 GRM5 3095/4885MAPT 1161/4885POLB 1633/4885

“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.