SCHEMBL1753903

SCHEMBL1753903

O=C(CC(=O)Nc1cccc2cccnc12)Nc1cccc2cccnc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.79
▸ POLB P06746 2/20 0.75
▸ HTT P42858 1/20 0.71
▸ HDAC6 Q9UBN7 3/20 0.68
▸ HDAC3 O15379 2/20 0.68
▸ HDAC4 P56524 2/20 0.68
▸ HDAC1 Q13547 2/20 0.68
▸ HDAC7 Q8WUI4 2/20 0.68
▸ HDAC2 Q92769 2/20 0.68
▸ HDAC10 Q969S8 2/20 0.68
▸ HDAC11 Q96DB2 2/20 0.68
▸ HDAC8 Q9BY41 2/20 0.68
▸ HDAC9 Q9UKV0 2/20 0.68
▸ HDAC5 Q9UQL6 2/20 0.68
▸ LMNA P02545 3/20 0.66
▸ ALDH1A1 P00352 1/20 0.66
▸ KDR P35968 1/20 0.65
▸ MAPT P10636 3/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64

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
SCHEMBL9464627 0.92 POLB (0.88) TDP1POLBHTTHDAC6HDAC3
SCHEMBL4025039 0.89 TDP1 (0.73) TDP1POLBHTTHDAC6HDAC3
SCHEMBL28774204 0.89 TDP1 (0.73) TDP1POLBHTTHDAC6HDAC3
SCHEMBL4866729 0.89 TDP1 (0.73) TDP1POLBHTTHDAC6HDAC3
SCHEMBL4025035 0.89 TDP1 (0.73) TDP1POLBHTTHDAC6HDAC3
SCHEMBL9464308 0.89 HTT (0.89) TDP1POLBHTTHDAC6HDAC3
SCHEMBL5442495 0.89 TDP1 (0.73) TDP1POLBHTTHDAC6HDAC3
SCHEMBL8401892 0.89 TDP1 (0.73) TDP1POLBHTTHDAC6HDAC3
SCHEMBL31174344 0.89 TDP1 (0.73) TDP1POLBHTTHDAC6HDAC3
SCHEMBL30631861 0.88 TDP1 (0.68) TDP1POLBHTTHDAC6HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 — — EP disclosed
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 — — EP disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 — — US disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 — — US disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 — — US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 — — US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 — — US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 — — US disclosed
EP-1896395-A2 MODIFIED MALONATE DERIVATIVES Merck & Co., Inc. (US) 2008-03-12 — — EP disclosed
US-20070190022-A1 Combination methods of treating cancer NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-08-16 — — US disclosed
US-20070060614-A1 Methods of treating cancer with hdac inhibitors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2007-03-15 — — US disclosed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 — — WO disclosed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 — — 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 (3 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-20100160327-A1 Modified Malonate Derivatives ME2, ME3, ME1 TDP1 2136/4885POLB 3143/4885HTT 608/4885
US-20070060614-A1 Methods of treating cancer with hdac inhibitors HDAC5, BCL6, HDAC9 TDP1 1324/4885POLB 2945/4885HTT 408/4885
US-20070190022-A1 Combination methods of treating cancer HDAC5, HDAC1, HDAC4 TDP1 1233/4885POLB 1167/4885HTT 1143/4885

“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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