SCHEMBL959981

SCHEMBL959981

CCOC(=O)c1cc(F)cc(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
NPSR1 Q6W5P4 2/20 0.48
GAA P10253 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
SCN9A Q15858 1/20 0.41
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
HTT P42858 1/20 0.39
P2RX3 P56373 1/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
GPR119 Q8TDV5 2/20 0.38

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
SCHEMBL958823 0.86 MRGPRX4 (0.49) MAPTGAASCN9APOLBALDH1A1
SCHEMBL958350 0.85 MAPT (0.49) MAPTNPSR1GAAGPR55NPC1
SCHEMBL959117 0.85 MAPT (0.49) MAPTNPSR1GAAGPR55SCN9A
SCHEMBL957846 0.83 MAPT (0.47) MAPTNPSR1GAAGPR55NPC1
SCHEMBL961250 0.81 GPR52 (0.56) SCN9APOLBSMN1; SMN2MRGPRX4HTT
SCHEMBL959417 0.80 MRGPRX4 (0.46) MAPTNPSR1GAAGPR55SMN1; SMN2
SCHEMBL959528 0.78 GPR52 (0.45) SCN9AALDH1A1MRGPRX4GPR52
SCHEMBL958805 0.77 MAPT (0.47) MAPTNPSR1GAAGPR55NPC1
SCHEMBL958072 0.77 L3MBTL1 (0.51) MAPTGAANPC1RAB9ASMN1; SMN2
SCHEMBL958494 0.77 MAPT (0.46) MAPTNPSR1GAAGPR55NPC1

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 MAPT 4154/4885NPSR1 122/4885GAA 4197/4885

“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.