SCHEMBL20072484

SCHEMBL20072484

C=C(Nc1cccc(OC)n1)N1CCN(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 10/20 0.58
RBP4 P02753 1/20 0.42
GRM5 P41594 3/20 0.40
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.40
AKR1C3 P42330 1/20 0.40
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL20063164 0.87 PHGDH (0.76) PHGDH
SCHEMBL20072617 0.85 PHGDH (0.52) PHGDHRBP4GRM5GAAKDM4E
SCHEMBL20072463 0.79 PHGDH (0.77) PHGDHGRM5GAAKDM4E
SCHEMBL20072518 0.78 PHGDH (0.52) PHGDHRBP4AKR1C3
SCHEMBL20072365 0.77 PHGDH (0.63) PHGDHGRM5KDM4EAKR1C3MAPT
SCHEMBL20072466 0.75 PHGDH (0.76) PHGDH
SCHEMBL20072614 0.73 PHGDH (1.00) PHGDH
SCHEMBL20063157 0.72 PHGDH (0.69) PHGDHKDM4E
SCHEMBL20072369 0.70 PHGDH (0.69) PHGDHMAPT
SCHEMBL20063162 0.66 PHGDH (1.00) PHGDH

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-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-18 US disclosed
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2018-04-19 US 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 (2 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-11225469-B2 Inhibitors of phosphoglycerate dehydrogenase (PHGDH) and uses thereof PHGDH, PGD, PGK1 PHGDH 1/4885RBP4 3655/4885GRM5 1791/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 PHGDH 1/4885RBP4 3460/4885GRM5 2064/4885

“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.