SCHEMBL12374495

SCHEMBL12374495

Cc1cc(=O)nc(NC(=O)NCCCCC(NC(=O)Nc2nc(=O)cc(C)[nH]2)C(=O)NCCS(=O)(=O)O)[nH]1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ SIRT6 Q8N6T7 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ MET P08581 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ ABL1 P00519 3/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ CPB1 P15086 1/20 0.31
▸ CPB2 Q96IY4 1/20 0.31

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
SCHEMBL12374471 0.86 FOLH1 (0.46) FOLH1ABL1
SCHEMBL12462492 0.85 ABL1 (0.39) METCDK9ABL1
SCHEMBL15368058 0.82 CA1 (0.46) FOLH1HDAC1HDAC6SIRT1CA1
SCHEMBL12462231 0.82 SIRT6 (0.36) HDAC1HDAC6SIRT6SIRT1ABL1
SCHEMBL12374497 0.81 MEN1 (0.45) FOLH1HDAC1HDAC6SIRT1ABL1
SCHEMBL12374475 0.80 HTT (0.34) ABL1
SCHEMBL12407949 0.80 SIRT5 (0.40) FOLH1HDAC1HDAC6SIRT1CA1
SCHEMBL12374476 0.78 ABL1 (0.33) ABL1
SCHEMBL11988265 0.78 ABL1 (0.33) METABL1ROCK2
SCHEMBL12462225 0.78 ABL1 (0.35) HDAC1HDAC6ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575341-B2 Cosmetic composition, cosmetic treatment method, and compound L'OREAL (FR) 2013-11-05 — — US disclosed
US-8575341-B2 Cosmetic composition, cosmetic treatment method, and compound L'OREAL (FR) 2013-11-05 — — US disclosed
US-20110189118-A1 COSMETIC COMPOSITION, COSMETIC TREATMENT METHOD, AND COMPOUND L'OREAL (FR) 2011-08-04 — — US disclosed
US-20110189118-A1 COSMETIC COMPOSITION, COSMETIC TREATMENT METHOD, AND COMPOUND L'OREAL (FR) 2011-08-04 — — US disclosed
WO-2011083243-A1 COSMETIC TREATMENT METHODS AND KIT L'OREAL (FR) 2011-07-14 — — WO disclosed
WO-2010001041-A2 COSMETIC COMPOSITION, COSMETIC TREATMENT METHOD, AND COMPOUND L'OREAL (FR) 2010-01-07 — — 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-20110189118-A1 COSMETIC COMPOSITION, COSMETIC TREATMENT METHOD, AND COMPOUND KRT18, MC1R, C1R FOLH1 2378/4885HDAC1 62/4885HDAC6 696/4885

“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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