SCHEMBL20072349

SCHEMBL20072349

C=C(Nc1cc(OC)ccn1)N1CCN(c2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 12/20 0.77
NOS3 P29474 3/20 0.48
NOS1 P29475 3/20 0.48
NOS2 P35228 3/20 0.48
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL20063159 0.87 PHGDH (1.00) PHGDH
SCHEMBL20072325 0.85 PHGDH (0.75) PHGDHKMT2A
SCHEMBL20072463 0.85 PHGDH (0.77) PHGDHNOS3NOS1NOS2GAA
SCHEMBL20072342 0.79 PHGDH (0.66) PHGDHKMT2A
SCHEMBL20072578 0.79 PHGDH (0.54) PHGDHMAPTKMT2AGAAALDH1A1
SCHEMBL20072617 0.78 PHGDH (0.52) PHGDHMAPTKMT2AGAAALDH1A1
SCHEMBL20072496 0.77 PHGDH (0.80) PHGDHMAPTKMT2AGAAALDH1A1
SCHEMBL20072459 0.76 PHGDH (0.79) PHGDH
SCHEMBL29178282 0.75 PHGDH (0.60) PHGDHNOS3NOS1NOS2MAPT
SCHEMBL20072512 0.74 PHGDH (0.59) PHGDHKMT2A

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 1/4885NOS3 2640/4885NOS1 2616/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 PHGDH 1/4885NOS3 2532/4885NOS1 2516/4885

“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.