SCHEMBL2413630

SCHEMBL2413630

Nc1cc(Cl)ccc1NC(=O)c1ccc(CN(C=O)OCc2cccnc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.66
HDAC3 O15379 12/20 0.66
HDAC2 Q92769 12/20 0.66
HDAC4 P56524 10/20 0.66
HDAC7 Q8WUI4 10/20 0.66
HDAC10 Q969S8 10/20 0.66
HDAC11 Q96DB2 10/20 0.66
HDAC8 Q9BY41 10/20 0.66
HDAC6 Q9UBN7 10/20 0.66
HDAC9 Q9UKV0 10/20 0.66
HDAC5 Q9UQL6 10/20 0.66
NCOR2 Q9Y618 3/20 0.49
KDM1A O60341 1/20 0.49
CYP3A4 P08684 1/20 0.49
F3 P13726 1/20 0.49
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
KCNH2 Q12809 1/20 0.45
NAMPT P43490 2/20 0.44
NCOR1 O75376 1/20 0.44

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
SCHEMBL302457 0.88 HDAC1 (0.63) HDAC1HDAC3HDAC2HDAC4HDAC7
Hydrochloric Acid SCHEMBL2407989 0.87 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC4HDAC7
Bromide SCHEMBL2409900 0.87 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2416256 0.84 HDAC1 (0.66) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2414034 0.84 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2410013 0.83 HDAC1 (0.67) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3559032 0.82 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1435656 0.82 HIF1A (0.50) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1435353 0.81 TRPV1 (0.44) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL2411926 0.80 HDAC1 (0.62) HDAC1HDAC3HDAC2HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026239-B2 Cell differentiation inducer BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-09-27 US disclosed
US-20100256201-A1 CELL DIFFERENTIATION INDUCER BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-07 US disclosed
US-7687525-B2 Cell differentiation inducer BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-03-30 US disclosed
US-20080188489-A1 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2008-08-07 US disclosed
US-7317028-B2 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2008-01-08 US disclosed
US-20050054647-A1 New pharmaceutical combination BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-03-10 US disclosed
US-6794392-B1 Cell differentiation inducer SCHERING AKTIENGESELLSCHAFT (DE) 2004-09-21 US disclosed
US-20040147569-A1 Antitumor agents; autoimmune disease; skin disorders; anticancer agents SCHERING AKTIENGESELLSCHAFT 2004-07-29 US disclosed
EP-1437346-A1 Benzamide derivatives useful as cell differentiation inducers Schering AG (DE) 2004-07-14 EP disclosed
EP-0847992-B1 Benzamide derivatives, useful as cell differentiation inducers SCHERING AG (DE) 2004-06-23 EP disclosed
US-6174905-B1 AS CARCINOSTATIC AGENT TO A HEMATOLOGIC MALIGNANCY AND A SOLID CARCINOMA MITSUI CHEMICALS, INC. (JP) 2001-01-16 US disclosed
EP-0847992-A1 Benzamide derivatives, useful as cell differentiation inducers Mitsui Chemicals, Inc. (JP) 1998-06-17 EP 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-20080188489-A1 Cell differentiation inducer MCL1, MYADM, MYD88 HDAC1 150/4885HDAC3 618/4885HDAC2 170/4885
US-20040147569-A1 Antitumor agents; autoimmune disease; skin disorders; anticancer agents MCL1, MYADM, PDCD1 HDAC1 81/4885HDAC3 807/4885HDAC2 204/4885
US-20100256201-A1 CELL DIFFERENTIATION INDUCER MCL1, MYADM, MYD88 HDAC1 163/4885HDAC3 680/4885HDAC2 183/4885
US-20050054647-A1 New pharmaceutical combination VEGFA, INHA, PGF HDAC1 976/4885HDAC3 1616/4885HDAC2 1101/4885

“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.