SCHEMBL12932873

SCHEMBL12932873

CC(C)(C)CNc1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 1/20 0.46
▸ PLK1 P53350 1/20 0.46
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44
▸ FFAR1 O14842 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37

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
SCHEMBL3732806 0.87 MAPT (0.48) GHSRMEN1KMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL17710416 0.85 MAPT (0.46) GHSRMEN1KMT2AALDH1A1HTT
SCHEMBL24848921 0.80 ALDH1A1 (0.43) FNTAFNTBFFAR1MEN1KMT2A
SCHEMBL23816989 0.76 LMNA (0.41) FFAR1MEN1KMT2ALMNAHTT
SCHEMBL855240 0.76 MAPT (0.58) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL22156281 0.76 LMNA (0.64) FNTAFNTBFFAR1MEN1KMT2A
SCHEMBL4699243 0.76 LMNA (0.64) FNTAFNTBFFAR1MEN1KMT2A
SCHEMBL23697926 0.75 SIGMAR1 (0.56) MEN1KMT2AALDH1A1NPC1SIGMAR1
SCHEMBL12932913 0.74 ALDH1A1 (0.40) MEN1KMT2ALMNAALDH1A1HTT
SCHEMBL21799622 0.74 MAPK8 (0.46) GHSRMEN1KMT2AALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 — — US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 — — US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 — — US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 — — US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 — — US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 — — 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 GHSR 2899/4885PLK1 612/4885FNTA 3436/4885

“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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