SCHEMBL960541

SCHEMBL960541

O=C(Nc1nccs1)c1cccc(-c2cccc(OCCc3cccc(F)c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR52 Q9Y2T5 2/20 0.54
▸ PIN1 Q13526 1/20 0.52
▸ SIRT2 Q8IXJ6 1/20 0.52
▸ MGAM O43451 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ SI P14410 1/20 0.49
▸ MGAM2 Q2M2H8 1/20 0.49
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ HPGD P15428 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ KCNK3 O14649 1/20 0.45
▸ KCNK9 Q9NPC2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ RECQL P46063 1/20 0.43
▸ NPSR1 Q6W5P4 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
SCHEMBL960656 0.88 RAB9A (0.53) GPR52SIRT2MGAMGAASI
SCHEMBL12919107 0.85 SMN1; SMN2 (0.57) GPR52SIRT2NPC1RAB9AHPGD
SCHEMBL958328 0.81 GPR52 (0.57) GPR52
SCHEMBL959767 0.81 GPR52 (0.80) GPR52GAALMNAMAPT
SCHEMBL961663 0.78 GPR52 (0.64) GPR52GAALMNAMAPT
SCHEMBL27760115 0.77 NPC1 (0.68) SIRT2MGAMGAASIMGAM2
SCHEMBL961649 0.75 GPR52 (0.49) GPR52GAANPC1RAB9AHPGD
SCHEMBL963056 0.72 GPR52 (0.51) GPR52KCNK3KCNK9MAPTMEN1
SCHEMBL959928 0.71 SIRT2 (0.52) GPR52SIRT2
SCHEMBL958225 0.71 GPR52 (0.51) GPR52GAANPC1RAB9AHPGD

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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 — — US disclosed
US-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 — — US disclosed
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
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 GPR52 23/4885PIN1 4527/4885SIRT2 927/4885

“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.

Send feedback