SCHEMBL6673464

SCHEMBL6673464

CCOC(=O)c1ccc(C(=O)Nc2cc(C(C)(C)C)nc(C(C)(C)C)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
NPC1 O15118 6/20 0.59
GAA P10253 2/20 0.59
MAPT P10636 8/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPK1 P28482 3/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 2/20 0.50
THRB P10828 1/20 0.50
SLC2A1 P11166 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49
CASP3 P42574 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 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
SCHEMBL6675739 0.85 SMN1; SMN2 (0.44) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL9645677 0.81 RAB9A (0.74) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL6674449 0.80 MEN1 (0.55) RAB9ASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL5879030 0.80 RAB9A (0.88) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL10943445 0.80 RAB9A (0.88) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL10093002 0.79 RAB9A (0.62) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL9182180 0.77 RAB9A (0.72) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL31114172 0.76 RAB9A (0.55) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL10939388 0.76 SMN1; SMN2 (0.91) RAB9ASMN1; SMN2NPC1GAAMAPT
SCHEMBL5925493 0.75 RAB9A (0.61) RAB9ASMN1; SMN2NPC1GAAMAPT

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
EP-0862555-B1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 2004-10-20 EP claimed
US-20020091262-A1 Substituted aryl or heteroarylamides having retinoid-like biological activity ALLERGAN 2002-07-11 US claimed
EP-0862555-A1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY Allergan (US) 1998-09-09 EP claimed
US-5663357-A COMPOUNDS FOR TREATMENT OF SKIN DISORDERS ALLERGAN (US) 1997-09-02 US claimed
WO-1997019062-A1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1997-05-29 WO claimed
EP-0862555-B1 SUBSTITUTED ARYL OR HETEROARYLAMIDES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 2004-10-20 EP disclosed
US-6610744-B2 Administering to a mammal a retinoid campound which binds specifically or selectively to a RAR alpha retinoid receptors in preference over RAR beta and RAR Gamma retinoid receptors, for therapy and prophylaxisof disease or condition ALLERGAN, INC. 2003-08-26 US disclosed
US-6534544-B1 Administering retinoid compound as anticarcinogenic and antitumor agents; side effect reduction ALLERGAN SALES, INC. 2003-03-18 US disclosed
US-6437129-B1 ARMOATIC OR HETEROARMOATIC COMPOUND CONTAINING SUBSTITUTED AMIDES OR THIOAMIDES ALLERGAN SALES, LLC 2002-08-20 US disclosed
US-20020077360-A1 Methods of treatment with compounds having RAR alpha receptor specific or selective activity ALLERGAN SALES, INC. 2002-06-20 US disclosed
US-6320047-B1 ACYL- OR THIOACYL-AMINOPYRIDINES ALLERGAN SALES, INC. 2001-11-20 US disclosed
US-6245786-B1 ANTIPROLIFERATIVE AGENTS; SKIN DISORDERS ALLERGAN SALES, INC. 2001-06-12 US disclosed
US-6051713-A USEFUL AS REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, PARTICULARLY AS AGENTS FOR TREATING SKIN RELATED DISEASES, INCLUDING ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-KERATINIZATION SKIN DISORDERS ALLERGAN SALES, INC. (US) 2000-04-18 US disclosed
US-5965606-A RETINOID RECEPTORS, 2-FLUORO-4-(2',2',4',4'-TETRAMETHYL-8'-TRIFLUOROMETHYLCHROMAN-6' -YL)CARBAMOYL BENZOIC ACID FOR TREATING MONOCYTIC LEUKEMIA ALLERGAN SALES, INC. (US) 1999-10-12 US disclosed
US-5917048-A Substituted aryl or heteroarylamides having retinoid-like biological activity ALLERGAN SALES INC. (US) 1999-06-29 US 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-20020077360-A1 Methods of treatment with compounds having RAR alpha receptor specific or selective activity RARG, RARA, RARB RAB9A 2254/4885SMN1; SMN2 2227/4885NPC1 4394/4885
US-20020091262-A1 Substituted aryl or heteroarylamides having retinoid-like biological activity CCR8, RXRA, CBR1 RAB9A 1708/4885SMN1; SMN2 1612/4885NPC1 133/4885

“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.