SCHEMBL961939

SCHEMBL961939

O=C(NCCO)c1ccc(F)c(-c2cccc(Oc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
ALPL P05186 1/20 0.41
ALPG P10696 1/20 0.41
BRD4 O60885 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KCNH2 Q12809 1/20 0.39
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
ACVRL1 P37023 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CTSA P10619 1/20 0.38
MDM2 Q00987 3/20 0.37
MDM4 O15151 1/20 0.37

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
SCHEMBL958269 0.90 GPR52 (0.43) GPR52MRGPRX4HPGDPOLBHTT
SCHEMBL961523 0.89 SLC6A2 (0.39) GPR52MRGPRX4HPGDSLC6A2SLC6A4
SCHEMBL957949 0.85 GPR52 (0.44) GPR52MRGPRX4HPGDHTTALPL
SCHEMBL961250 0.84 GPR52 (0.56) GPR52MRGPRX4HPGDPOLBHTT
SCHEMBL959343 0.84 MRGPRX4 (0.53) MRGPRX4HPGDPOLBCTSA
SCHEMBL962006 0.83 GPR52 (0.48) GPR52MRGPRX4ALPLALPGACVR1B
SCHEMBL958289 0.81 KDR (0.50) GPR52MRGPRX4ALPLALPGKMT2A
SCHEMBL957846 0.81 MAPT (0.47) MRGPRX4HPGDPOLBHTTSMN1; SMN2
SCHEMBL958740 0.79 KMT2A (0.41) MRGPRX4HPGDBRD4SLC6A2SLC6A4
SCHEMBL956572 0.77 GPR52 (0.48) GPR52MRGPRX4HPGDHTT

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 4 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

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 23/4885MRGPRX4 133/4885HPGD 3027/4885

“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.