SCHEMBL8420871

SCHEMBL8420871

NC(C(=O)NO)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2ncccc2c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 8/20 0.65
▸ PABPC1 P11940 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ MEF2D Q14814 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL8421533 0.83 PABPC1 (0.63) HDAC1PABPC1MEN1KMT2ANPC1
SCHEMBL8083036 0.83 HDAC1 (0.79) HDAC1PABPC1HDAC4MEF2DMEN1
SCHEMBL10420281 0.82 HDAC1 (0.73) HDAC1
SCHEMBL8374731 0.81 HDAC1 (0.62) HDAC1PABPC1MEN1KMT2ALMNA
SCHEMBL13159659 0.79 HDAC1 (1.00) HDAC1HDAC4MEF2D
SCHEMBL8344769 0.79 HDAC1 (1.00) HDAC1HDAC4MEF2D
SCHEMBL14462080 0.78 HDAC1 (0.59) HDAC1PABPC1HDAC4MEN1KMT2A
SCHEMBL13159719 0.77 HDAC1 (0.87) HDAC1HDAC4MEF2D
SCHEMBL8421283 0.77 NPC1 (0.60) HDAC1PABPC1HDAC4MEN1KMT2A
SCHEMBL14264238 0.76 MEN1 (0.60) HDAC1HDAC4MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7847122-B2 Polymorphs of suberoylanilide hydroxamic acid MERCK HDAC RESEARCH, LLC (US) 2010-12-07 — — US disclosed
US-20080249179-A1 Methods of treating cancer with HDAC inhibitors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2008-10-09 — — US disclosed
US-20080228005-A1 Polymorphs of suberoylanilide hydroxamic acid NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-18 — — US disclosed
US-20080227862-A1 Methods of treating cancer with HDAC inhibitors ATON PHARMA, INC. 2008-09-18 — — US disclosed
US-7375137-B2 Methods of treating cancer with HDAC inhibitors MERCK HDAC RESEARCH, LLC (US) 2008-05-20 — — US disclosed
US-20060167103-A1 Methods of treating cancer with HDAC inhibitors ATON PHARMA, INC. (US) 2006-07-27 — — 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 (4 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-20060167103-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC1, HDAC4 HDAC1 2/4885PABPC1 2559/4885HDAC4 3/4885
US-20080249179-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC9, HDAC1 HDAC1 3/4885PABPC1 4409/4885HDAC4 4/4885
US-20080228005-A1 Polymorphs of suberoylanilide hydroxamic acid HDAC1, HDAC4, HDAC5 HDAC1 1/4885PABPC1 3027/4885HDAC4 2/4885
US-20080227862-A1 Methods of treating cancer with HDAC inhibitors HDAC5, HDAC9, HDAC1 HDAC1 3/4885PABPC1 4409/4885HDAC4 4/4885

“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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