SCHEMBL1307916

SCHEMBL1307916

O=C(NCCc1ccc(F)cc1)C(=Cc1ccc(C(=O)O)cc1)COc1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.51
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 4/20 0.46
▸ MAPT P10636 3/20 0.46
▸ POLB P06746 3/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ BLM P54132 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PTGER4 P35408 1/20 0.44
▸ PLAAT3 P53816 1/20 0.43
▸ PLAAT5 Q96KN8 1/20 0.43
▸ PLAAT2 Q9NWW9 1/20 0.43
▸ PLAAT4 Q9UL19 1/20 0.43
▸ DAPK1 P53355 1/20 0.42
▸ PIM3 Q86V86 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42

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
SCHEMBL1307912 1.00 LMNA (0.51) LMNAHTTKMT2AMAPTPOLB
SCHEMBL1307207 0.91 LMNA (0.43) LMNAHTTMAPTPOLBSMN1; SMN2
SCHEMBL1306130 0.91 P2RX3 (0.46) LMNAHTTMAPTPOLBMAPK1
SCHEMBL1306132 0.91 P2RX3 (0.46) LMNAHTTMAPTPOLBMAPK1
SCHEMBL1306788 0.90 PTPN1 (0.48) LMNAHTTKMT2AMAPTPOLB
SCHEMBL1306787 0.90 PTPN1 (0.48) LMNAHTTKMT2AMAPTPOLB
SCHEMBL27784527 0.89 LMNA (0.48) LMNAHTTKMT2AMAPTPOLB
SCHEMBL27784529 0.89 LMNA (0.48) LMNAHTTKMT2AMAPTPOLB
SCHEMBL1307208 0.88 TRPM4 (0.41) LMNAHTTKMT2AMAPTPOLB
Fluorobenzene SCHEMBL27762740 0.87 DAPK1 (0.44) LMNAKMT2AMAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 — — EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 — — US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 — — 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-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 LMNA 1637/4885HTT 1818/4885KMT2A 111/4885

“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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