SCHEMBL8292121

SCHEMBL8292121

CNCc1cccc(OCC(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 1/20 0.48
▸ NOS1 P29475 3/20 0.47
▸ NOS3 P29474 2/20 0.47
▸ HDAC4 P56524 1/20 0.46
▸ MEF2D Q14814 1/20 0.46
▸ BCHE P06276 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ HCRTR1 O43613 1/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ PRMT6 Q96LA8 3/20 0.42
▸ CETP P11597 1/20 0.42
▸ CARM1 Q86X55 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2A Q12879 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GPR3 P46089 1/20 0.40

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
SCHEMBL12933252 0.86 HDAC4 (0.45) HDAC4MEF2DBCHEALDH1A1HCRTR1
SCHEMBL13074511 0.84 BCHE (0.49) HDAC4MEF2DBCHEHCRTR1HCRTR2
SCHEMBL22957707 0.83 MEN1 (0.45) HDAC4MEF2DBCHEHCRTR1HCRTR2
SCHEMBL22957720 0.82 BCHE (0.49) HDAC4MEF2DBCHECHRM2HTR7
SCHEMBL8186760 0.81 ALDH1A1 (0.49) ALDH1A1HCRTR1HCRTR2CETPGRIN1
SCHEMBL16270473 0.81 NOS1 (0.50) MRGPRX4NOS1NOS3BCHEPRMT6
SCHEMBL29373647 0.80 PRMT6 (0.59) MRGPRX4PRMT6CETPCARM1CHRM2
SCHEMBL8348536 0.80 PRMT6 (0.59) MRGPRX4PRMT6CETPCARM1CHRM2
SCHEMBL22957705 0.80 MEN1 (0.43) HDAC4MEF2DBCHEALDH1A1CETP
SCHEMBL5807843 0.80 SMN1; SMN2 (0.55) NOS1NOS3BCHEALDH1A1PRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-02-09 — — US disclosed
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
WO-2005030704-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2005-04-07 — — WO disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 — — 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 (2 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 MRGPRX4 4452/4885NOS1 3108/4885NOS3 2942/4885
US-10913738-B2 Aminotriazolopyridines as kinase inhibitors RIPK1, RIPK3, RIPK4 MRGPRX4 1525/4885NOS1 1873/4885NOS3 1404/4885

“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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