SCHEMBL20072580

SCHEMBL20072580

C=C(Nc1cc(C)ccn1)N1CCN(c2ccc(C(C)=O)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 7/20 0.53
MAPT P10636 7/20 0.52
RAB9A P51151 4/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 3/20 0.49
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45

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
SCHEMBL20063104 0.87 PHGDH (0.71) PHGDHMAPTRAB9AALDH1A1KMT2A
SCHEMBL20072578 0.83 PHGDH (0.54) PHGDHMAPTRAB9ANPC1ALDH1A1
SCHEMBL20072325 0.83 PHGDH (0.75) PHGDHRAB9ANPC1KMT2AMEN1
SCHEMBL20072342 0.79 PHGDH (0.66) PHGDHRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL20072466 0.74 PHGDH (0.76) PHGDH
SCHEMBL20063101 0.74 PHGDH (0.79) PHGDHRAB9AKMT2ACACNA1BAPBA1
SCHEMBL20063097 0.74 PHGDH (0.78) PHGDHRAB9AKMT2ACACNA1BAPBA1
SCHEMBL20063103 0.72 PHGDH (0.76) PHGDHRAB9AKMT2ACACNA1BAPBA1
SCHEMBL20063098 0.71 PHGDH (0.83) PHGDHRAB9AKMT2ACACNA1BAPBA1
SCHEMBL20063099 0.71 PHGDH (0.74) PHGDHRAB9AKMT2ACACNA1BAPBA1

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 1/4885MAPT 154/4885RAB9A 1994/4885
US-20180105508-A1 INHIBITORS OF PHOSPHOGLYCERATE DEHYDROGENASE (PHGDH) AND USES THEREOF PHGDH, PGD, PGK1 PHGDH 1/4885MAPT 182/4885RAB9A 2026/4885

“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.