SCHEMBL3499455

SCHEMBL3499455

COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(C)n2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.52
BRD4 O60885 1/20 0.50
DHODH Q02127 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
AKT1 P31749 1/20 0.48
AKT2 P31751 1/20 0.48
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC2A2 P11168 1/20 0.45
TRIM33 Q9UPN9 3/20 0.45
MAP2K4 P45985 1/20 0.44
DRD2 P14416 1/20 0.44
TBXA2R P21731 1/20 0.44

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
SCHEMBL3500174 0.89 SLC2A1 (0.50) SLC2A1BRD4DHODHCYP1A2CYP2C9
SCHEMBL2127101 0.88 RAB9A (0.51) BRD4AKT1AKT2KDM4EALDH1A1
SCHEMBL2127536 0.87 AKT1 (0.58) BRD4CYP1A2CYP2C9CYP2C19AKT1
SCHEMBL3498796 0.86 CYP1A2 (0.49) SLC2A1BRD4DHODHCYP1A2CYP2C9
SCHEMBL1691320 0.84 SLC2A1 (0.56) SLC2A1CYP1A2CYP2C9CYP2C19ALDH1A1
Bromide SCHEMBL1691362 0.83 SLC2A1 (0.56) SLC2A1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL26931747 0.79 BRD4 (0.51) BRD4AKT1AKT2LMNAKDM4E
SCHEMBL5340340 0.77 SLC2A1 (0.64) SLC2A1CYP1A2CYP2C9CYP2C19AKT1
SCHEMBL5352452 0.76 SLC2A1 (0.63) SLC2A1CYP1A2CYP2C9CYP2C19AKT1
SCHEMBL14646314 0.76 GABRA1 (0.53) SLC2A1BRD4AKT1AKT2LMNA

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 SLC2A1 1193/4885BRD4 393/4885DHODH 3981/4885

“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.