SCHEMBL3500451

SCHEMBL3500451

CCOC(=O)CNC(=O)c1oc2cc(-c3ccc(Cn4c(C)nc5ccccc54)cc3)ccc2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
GRM2 Q14416 1/20 0.41
GALR3 O60755 2/20 0.41
NR2F2 P24468 2/20 0.41
RAB9A P51151 1/20 0.41
TNF P01375 1/20 0.41
EDNRA P25101 1/20 0.39
PPARG P37231 2/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
TBXAS1 P24557 1/20 0.39
DRD2 P14416 1/20 0.39
TBXA2R P21731 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL3498511 0.92 HDAC1 (0.45) HDAC1HDAC6AGTR1AGTR2GRM2
SCHEMBL3499796 0.90 HDAC1 (0.49) HDAC1HDAC6AGTR1AGTR2GRM2
SCHEMBL3498137 0.87 HDAC1 (0.47) HDAC1HDAC6AGTR1AGTR2GRM2
SCHEMBL13344480 0.85 HDAC1 (0.48) HDAC1HDAC6AGTR1AGTR2GRM2
SCHEMBL3498912 0.84 TNF (0.52) HDAC1HDAC6AGTR1AGTR2GRM2
SCHEMBL3498797 0.79 MCL1 (0.46) RAB9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5275062 0.70 MCL1 (0.44) HDAC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL9256992 0.68 HDAC1 (0.68) HDAC1HDAC6AGTR1AGTR2GALR3
SCHEMBL3499188 0.68 MAPT (0.41) RAB9AKDM4EALDH1A1
SCHEMBL3500040 0.67 MCL1 (0.53) RAB9AKDM4E

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-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 HDAC1 687/4885HDAC6 1532/4885AGTR1 196/4885

“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.