SCHEMBL2291362

SCHEMBL2291362

O=C(CCl)On1nnc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 4/20 0.56
▸ HDAC3 O15379 3/20 0.55
▸ HDAC4 P56524 3/20 0.55
▸ HDAC1 Q13547 3/20 0.55
▸ HDAC7 Q8WUI4 3/20 0.55
▸ HDAC2 Q92769 3/20 0.55
▸ HDAC10 Q969S8 3/20 0.55
▸ HDAC11 Q96DB2 3/20 0.55
▸ HDAC8 Q9BY41 3/20 0.55
▸ HDAC6 Q9UBN7 3/20 0.55
▸ HDAC9 Q9UKV0 3/20 0.55
▸ HDAC5 Q9UQL6 3/20 0.55
▸ TSHR P16473 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL10299926 0.87 SIRT2 (0.58) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4952678 0.84 SIRT2 (0.56) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2295151 0.84 SIRT2 (0.56) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8779471 0.84 HDAC3 (0.58) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL30162874 0.84 HDAC3 (0.58) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL11752297 0.84 SIRT2 (0.56) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL6378461 0.83 SIRT2 (0.58) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL29773981 0.83 SIRT2 (0.61) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1562975 0.83 SIRT2 (0.61) SIRT2HDAC3HDAC4HDAC1HDAC7
SCHEMBL39113 0.83 SIRT2 (0.61) SIRT2HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 — — US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 — — US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 — — US disclosed
CN-102120741-A Production method of an optically active compound MITSUBISHI TANABE PHARMA CORP 2011-07-13 — — CN disclosed
EP-2221305-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 — — EP disclosed
EP-2221304-A1 Method for synthesizing intermediate compound for synthesizing a pharmaceutical agent Mitsubishi Tanabe Pharma Corporation (JP) 2010-08-25 — — EP disclosed
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-06-18 — — US disclosed
CN-101228142-A Intermediate compounds for the synthesis of pharmaceutical preparations, and process for their preparation MITSUBISHI TANABE PHARMA CORP (JP) 2008-07-23 — — CN disclosed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 — — EP disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 — — 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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 SIRT2 2132/4885HDAC3 3485/4885HDAC4 2141/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 SIRT2 2132/4885HDAC3 3485/4885HDAC4 2141/4885
US-20090156804-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 SIRT2 2132/4885HDAC3 3485/4885HDAC4 2141/4885

“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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