SCHEMBL4029202

SCHEMBL4029202

O=C(/C=C/c1ccccc1)[N]C(=O)/C=C/c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.64
▸ HDAC3 O15379 2/20 0.64
▸ HDAC4 P56524 2/20 0.64
▸ HDAC1 Q13547 2/20 0.64
▸ HDAC2 Q92769 2/20 0.64
▸ HDAC8 Q9BY41 2/20 0.64
▸ HDAC6 Q9UBN7 2/20 0.64
▸ PLIN1 O60240 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ RECQL P46063 2/20 0.64
▸ PLIN5 Q00G26 2/20 0.64
▸ ABHD5 Q8WTS1 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ F3 P13726 2/20 0.64
▸ TNKS O95271 1/20 0.64
▸ HCAR2 Q8TDS4 1/20 0.64
▸ HDAC7 Q8WUI4 1/20 0.64
▸ HDAC10 Q969S8 1/20 0.64
▸ HDAC11 Q96DB2 1/20 0.64
▸ TNKS2 Q9H2K2 1/20 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
SCHEMBL4023735 1.00 MAPT (0.64) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL9113056 0.88 TDP1 (0.62) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL9113048 0.88 TDP1 (0.62) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL16588259 0.84 HDAC1 (0.61) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL11476908 0.83 TDP1 (0.61) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL29111191 0.83 MAPT (0.59) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL11476916 0.83 TDP1 (0.61) MAPTHDAC3HDAC4HDAC1HDAC2
Cinnamic Acid SCHEMBL2816657 0.81 HCAR2 (0.95) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL27560284 0.81 MAPT (0.57) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL1949536 0.79 MAPT (0.55) MAPTHDAC3HDAC4HDAC1HDAC2

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299388-B1 VARIOLIN DERIVATIVES AS ANTI-CANCER AGENTS PHARMA MAR SA (ES) 2009-05-13 — — EP claimed
US-7320981-B2 Antitumor agents PHARMA MAR, S.A. (ES) 2008-01-22 — — US claimed
US-20050014778-A1 Variolin derivatives as anti-cancer agents PHARMA MAR, S.A. (ES) 2005-01-20 — — US claimed
EP-1299388-A1 VARIOLIN DERIVATIVES AS ANTI-CANCER AGENTS PHARMA MAR, S.A. (ES) 2003-04-09 — — EP claimed
WO-2002004447-A1 VARIOLIN DERIVATIVES AS ANTI-CANCER AGENTS PHARMA MAR, S.A. (ES) 2002-01-17 — — WO claimed
EP-1299388-B1 VARIOLIN DERIVATIVES AS ANTI-CANCER AGENTS PHARMA MAR SA (ES) 2009-05-13 — — EP disclosed
US-7320981-B2 Antitumor agents PHARMA MAR, S.A. (ES) 2008-01-22 — — US disclosed
US-7094516-B2 Benzobisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2006-08-22 — — US disclosed
EP-1247655-B1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS MITSUI CHEMICALS INC (JP) 2006-05-31 — — EP disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 — — US disclosed
EP-1262966-B1 Optical recording medium and novel azaporphyrin compound MITSUI CHEMICALS INC (JP) 2006-04-12 — — EP disclosed
US-6969764-B2 Mono-, di-, and triazaporphyrin compounds optionally in the form of a metal or metalloid complex MITSUI CHEMICALS, INC. (JP) 2005-11-29 — — US disclosed
US-6627288-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS, INC. (JP) 2003-09-30 — — US disclosed
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 — — US disclosed
EP-1299388-A1 VARIOLIN DERIVATIVES AS ANTI-CANCER AGENTS PHARMA MAR, S.A. (ES) 2003-04-09 — — EP disclosed
EP-1262966-A2 Optical recording medium and novel azaporphyrin compound Mitsui Chemicals, Inc. (JP) 2002-12-04 — — EP disclosed
EP-1247655-A1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS Mitsui Chemicals, Inc. (JP) 2002-10-09 — — EP disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 — — EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 — — EP disclosed
WO-2002004447-A1 VARIOLIN DERIVATIVES AS ANTI-CANCER AGENTS PHARMA MAR, S.A. (ES) 2002-01-17 — — 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-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 MAPT 3650/4885HDAC3 2148/4885HDAC4 2865/4885
US-20050014778-A1 Variolin derivatives as anti-cancer agents CBR3, CCNL2, CBR1 MAPT 4689/4885HDAC3 175/4885HDAC4 715/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR MAPT 843/4885HDAC3 4298/4885HDAC4 4289/4885

“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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