SCHEMBL22080459

SCHEMBL22080459

CCCCN1C(=O)c2cc(N)c(/N=N/c3cc(C(C)(C)CC(C)(C)C)cc(C(C)(C)c4ccccc4)c3O)cc2C1=O

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.31
▸ MAPT P10636 1/20 0.30
▸ HSD17B10 Q99714 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC7 Q8WUI4 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC10 Q969S8 1/20 0.30
▸ HDAC11 Q96DB2 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ HDAC9 Q9UKV0 1/20 0.30
▸ HDAC5 Q9UQL6 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
SCHEMBL22080466 0.81 NR5A2 (0.38) ALDH1A1HSD17B10MEN1GAACASP1
SCHEMBL17429232 0.81 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL13376969 0.79 — —
SCHEMBL14100617 0.79 — —
SCHEMBL24205697 0.78 NPC1 (0.37) ALDH1A1GAA
SCHEMBL30026549 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13071186 0.77 ALDH1A1 (0.32) ALDH1A1
SCHEMBL22080484 0.76 SHBG (0.33) ALDH1A1MAPTMEN1GAAKMT2A
SCHEMBL12314577 0.74 ALDH1A1 (0.34) ALDH1A1MAPTMEN1KMT2A
SCHEMBL13376970 0.74 — —

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-20220017527-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS BASF SE (DE) 2022-01-20 — — US disclosed
WO-2020114936-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS BASF SE (DE) 2020-06-11 — — WO 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-20220017527-A1 NOVEL PROCEDURE FOR THE FORMATION OF 2H-BENZOTRIAZOLE BODIES AND CONGENERS GABBR1, GABBR2, SULT2A1 ALDH1A1 488/4885MAPT 979/4885HSD17B10 430/4885

“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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