SCHEMBL15958497

SCHEMBL15958497

[N-]=[N+]=NC(=O)/C=C/c1cccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.47
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ GSR P00390 1/20 0.40
▸ MAPT P10636 7/20 0.39
▸ LMNA P02545 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ PPP1R15A O75807 1/20 0.39
▸ MELK Q14680 1/20 0.39
▸ PPP1R15B Q5SWA1 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL13729148 0.88 HDAC1 (0.53) HDAC1HDAC8HDAC6GSRMAPT
SCHEMBL13729150 0.88 HDAC1 (0.53) HDAC1HDAC8HDAC6GSRMAPT
SCHEMBL9005523 0.81 PTGS2 (0.51) PTGS2HDAC1HDAC4HDAC8HDAC6
SCHEMBL9005516 0.81 PTGS2 (0.51) PTGS2HDAC1HDAC4HDAC8HDAC6
SCHEMBL18201983 0.76 HDAC8 (0.55) HDAC8HDAC6MAPTLMNAALDH1A1
SCHEMBL1124437 0.75 PTGS2 (0.55) PTGS2HDAC1HDAC4HDAC8HDAC6
SCHEMBL7004850 0.75 PTGS2 (0.55) PTGS2HDAC1HDAC4HDAC8HDAC6
SCHEMBL7004841 0.75 PTGS2 (0.55) PTGS2HDAC1HDAC4HDAC8HDAC6
SCHEMBL1124438 0.75 PTGS2 (0.55) PTGS2HDAC1HDAC4HDAC8HDAC6
SCHEMBL18416814 0.75 HSD11B1 (0.42) HDAC1HDAC4HDAC8HDAC6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 — — US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 — — US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 — — US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 — — 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 PTGS2 853/4885HDAC1 383/4885HDAC4 933/4885

“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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