SCHEMBL26372679

SCHEMBL26372679

COC(=O)/C(=C/c1ccc(C)cc1Cl)N=[N+]=[N-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HPGD P15428 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RAB9A P51151 4/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ AGPAT2 O15120 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32

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
SCHEMBL31651864 0.89 MAPT (0.35) MAPTLMNAHPGDALDH1A1KDM4E
SCHEMBL20535851 0.89 MAPT (0.35) MAPTLMNAHPGDALDH1A1KDM4E
SCHEMBL20535850 0.89 MAPT (0.35) MAPTLMNAHPGDALDH1A1KDM4E
SCHEMBL23049644 0.88 MAPT (0.41) GABRA1GABRG2GABRB3MAPTLMNA
SCHEMBL30008568 0.86 CA1 (0.39) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24113139 0.86 CA1 (0.39) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19343270 0.86 SCD (0.38) MAPTLMNAHPGDALDH1A1KDM4E
SCHEMBL23049844 0.84 KDM4E (0.30) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL24189161 0.83 ACLY (0.37) MAPTLMNAALDH1A1KDM4EMEN1
SCHEMBL30396411 0.83 ACLY (0.37) MAPTLMNAALDH1A1KDM4EMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312536-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-10-05 — — 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 (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-20230312536-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF PHGDH, G6PD, PGD GABRA1 4060/4885GABRG2 3481/4885GABRB3 2855/4885

“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.

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