SCHEMBL31597293

SCHEMBL31597293

[2H]c1nnc(-c2cc(C)n(C)n2)o1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ BAZ2B Q9UIF8 1/20 0.30

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
SCHEMBL21233179 0.83 TSHR (0.44) ALDH1A1SMN1; SMN2NPC1TP53TSHR
SCHEMBL31597376 0.72 KMT2A (0.40) —
SCHEMBL31597336 0.71 CYP2C9 (0.36) TSHR
SCHEMBL26051626 0.70 ALDH1A1 (0.34) HDAC6ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL21241221 0.69 BRD4 (0.36) ALDH1A1SMN1; SMN2CYP1A2CYP3A4APOBEC3G
SCHEMBL26206453 0.66 ALDH1A1 (0.43) HDAC6ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL21233180 0.66 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2CYP1A2CYP3A4APOBEC3G
SCHEMBL26847652 0.66 ACHE (0.40) ALDH1A1SMN1; SMN2CYP1A2CYP3A4APOBEC3G
SCHEMBL31596016 0.65 BAZ2B (0.32) HDAC6ALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL21233123 0.63 ALDH1A1 (0.34) HDAC6ALDH1A1SMN1; SMN2CYP1A2CYP3A4

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-20250171437-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA AGIOS PHARMACEUTICALS, INC. 2025-05-29 — — 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-20250171437-A1 (4-BENZO[D]OXAZOL-2-YL)-6,7-DIHYDRO-1H-IMIDAZO[4,5-C]PYRIDINE-5(4H)-YL)METHANONE DERIVATIVES AS MUTANT PAH STABILIZERS FOR THE TREATMENT OF PHENYLKETONURIA PAH, BCKDK, PKM HDAC6 2873/4885ALDH1A1 634/4885SMN1; SMN2 690/4885

“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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