SCHEMBL3846828

SCHEMBL3846828

Nc1ccccc1NC(=O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.58
HDAC1 Q13547 12/20 0.55
HDAC3 O15379 9/20 0.55
HDAC2 Q92769 9/20 0.55
MAPK1 P28482 1/20 0.55
HDAC10 Q969S8 5/20 0.51
HDAC6 Q9UBN7 5/20 0.51
NCOR2 Q9Y618 4/20 0.51
HDAC4 P56524 4/20 0.51
HDAC7 Q8WUI4 4/20 0.51
HDAC11 Q96DB2 4/20 0.51
HDAC8 Q9BY41 4/20 0.51
HDAC9 Q9UKV0 4/20 0.51
HDAC5 Q9UQL6 4/20 0.51
JAK2 O60674 1/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
KLK7 P49862 1/20 0.51
NPC1 O15118 1/20 0.49

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
SCHEMBL12427249 0.85 PTGS1 (0.55) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL8910665 0.85 PTGS1 (0.55) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL8909870 0.85 PTGS1 (0.55) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL1064630 0.83 HDAC1 (0.74) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL1576313 0.82 PDK1 (0.67) JAK2TP53MAPTHTTKLK7
SCHEMBL11394941 0.82 PTGS1 (0.53) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL15711989 0.81 HDAC1 (0.55) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL2733296 0.81 CETP (0.61) PTGS1HDAC1HDAC3HDAC2MAPK1
SCHEMBL20051277 0.80 HDAC1 (0.51) PTGS1HDAC1HDAC6HDAC7HDAC8
Trifluoroacetic Acid SCHEMBL3600531 0.79 HDAC1 (0.54) PTGS1HDAC1HDAC3HDAC2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7550510-B2 Solid phase synthesis of arylretinamides WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-06-23 US disclosed
US-20040102650-A1 Solid phase synthesis of arylretinamides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-05-27 US disclosed
US-6696606-B2 REACTING HEXACHLOROACETONE WITH TRIPHENYLPHOSPHINE; CHLORINATION OF RETINOIC ACID; THEN AROMATIC AMINE; ANTICANCER AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION 2004-02-24 US disclosed
CN-1118459-C Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha1 adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2003-08-20 CN disclosed
US-20030105164-A1 Solid phase synthesis of arylretinamides NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2003-06-05 US disclosed
WO-2003003987-A2 SOLID PHASE SYNTHESIS OF ARYLRETINAMIDES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2003-01-16 WO disclosed
EP-0748800-B1 Pyrimidinedione, pyrimidinetrione, triazinedione derivatives as alpha-1-adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 2001-05-09 EP disclosed
US-5859014-A USEFUL IN TREATMENT OF DISEASES INVOLVING DIRECTLY OR INDIRECTLY AN OBSTRUCTION OF THE LOWER URINARY TRACT, SUCH ASBENIGN PROSTATE HYPERPLASIA SYNTEX (U.S.A.) INC. (US) 1999-01-12 US disclosed
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed
CN-1149051-A Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha1 adrenergic receptor antagonists HOFFMANN LA ROCHE (CH) 1997-05-07 CN disclosed
EP-0748800-A2 Pyrimidinedione, pyrimidinetrione, triazinedione, tetrahydroquinazolinedione derivatives as alpha-1-adrenergic receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 1996-12-18 EP disclosed
CN-1136039-A [3- (4-phenylpiperazin-1-yl) propylamino, thio and oxy ] -pyridine, pyrimidine and benzene derivatives HOFFMANN LA ROCHE (CH) 1996-11-20 CN disclosed
EP-0711757-A1 3-(4-phenylpiperazin-1-yl)propyl-amino, thio and oxy -pyridine, pyrimidine and benzene derivatives as alpha1-adrenoceptor antagonists F. Hoffmann-La Roche AG (CH) 1996-05-15 EP disclosed
EP-0580763-A1 COMPOSITIONS AND METHODS FOR ENDOTHELIAL BINDING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1994-02-02 EP disclosed
WO-1992018610-A2 COMPOSITIONS AND METHODS FOR ENDOTHELIAL BINDING THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1992-10-29 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 (2 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-20040102650-A1 Solid phase synthesis of arylretinamides RARA, LRAT, NR2E3 PTGS1 3738/4885HDAC1 448/4885HDAC3 266/4885
US-20030105164-A1 Solid phase synthesis of arylretinamides RARA, LRAT, NR2E3 PTGS1 3738/4885HDAC1 448/4885HDAC3 266/4885

“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.