SCHEMBL2216232

SCHEMBL2216232

Cc1ccc([Zn]I)cc1F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ NISCH Q9Y2I1 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ DAO P14920 1/20 0.30
▸ KMO O15229 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL2216573 0.73 RAPGEF4 (0.34) MAPTKMO
SCHEMBL419343 0.69 — —
SCHEMBL30337397 0.69 — —
SCHEMBL4049600 0.68 MEN1 (0.38) NISCHKMT2AMAPTNPC1ALDH1A1
SCHEMBL60954 0.67 — —
SCHEMBL30527 0.67 — —
SCHEMBL12377626 0.67 NISCH (0.52) HDAC1HDAC6ACHENISCHALDH1A1
SCHEMBL29367748 0.67 — —
SCHEMBL30167752 0.67 — —
P-Xylene SCHEMBL28885091 0.65 ACHE (0.48) HDAC1HDAC6ACHENISCHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 — — EP disclosed
US-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-25 — — US disclosed
US-20070161673-A1 P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2007-07-12 — — US disclosed
EP-1709046-A1 P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 — — EP disclosed
WO-2005073232-A1 P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 — — 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 (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-20100298221-A1 2-PHENOXY NICOTINE ACID DERIVATIVE AND USE THEREOF NAPRT, PNPO, FABP3 HDAC1 872/4885HDAC6 1773/4885ACHE 1563/4885
US-20070161673-A1 P38 kinase inhibitors MAPK1, MAPK7, MAP3K1 HDAC1 413/4885HDAC6 515/4885ACHE 4613/4885

“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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