SCHEMBL962004

SCHEMBL962004

O=C(O)c1cccc(-c2cccc(Nc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.51
PTGDR Q13258 1/20 0.48
EPHB4 P54760 1/20 0.47
TEK Q02763 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
AURKA O14965 1/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
CNR1 P21554 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
SERPINE1 P05121 1/20 0.44
MARS1 P56192 1/20 0.43
CNR2 P34972 3/20 0.43
KMO O15229 1/20 0.42

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
SCHEMBL958637 0.83 BRAF (0.48) EPHB4TEKCNR1NPC1RAB9A
SCHEMBL959317 0.83 GPR52 (0.52) EPHB4TEKCNR1MAPK8MAPK10
SCHEMBL959458 0.80 ABL1 (0.43) EPHB4TEKCNR1KDM4ENPSR1
SCHEMBL960125 0.80 PTGDR (0.57) MRGPRX4PTGDRRXRARXRBCNR1
SCHEMBL959319 0.73 MRGPRX4 (0.61) MRGPRX4PTGDRRXRARXRBCNR1
SCHEMBL957975 0.73 MRGPRX4 (0.51) MRGPRX4PTGDRPPARGPPARARXRA
SCHEMBL963505 0.72 GAA (0.51) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL442436 0.71 SRD5A2 (0.62) MRGPRX4PPARGPPARARXRARXRB
SCHEMBL11559275 0.71 HCAR3 (0.54) MRGPRX4AURKARAB9AKDM4ENPSR1
SCHEMBL958209 0.71 NR4A2 (0.63) MRGPRX4PTGDRNPC1RAB9A

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 MRGPRX4 133/4885PTGDR 528/4885EPHB4 663/4885

“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.