SCHEMBL6672964

SCHEMBL6672964

CC(C)(C)c1cc(NC(=O)c2ccc(C(=O)O)c([N+](=O)[O-])c2)cc(C(C)(C)C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.51
KMT2A Q03164 9/20 0.51
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 5/20 0.47
NPC1 O15118 3/20 0.47
MAPK1 P28482 3/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 5/20 0.46
USP2 O75604 1/20 0.46
BLM P54132 1/20 0.46
UBE2N P61088 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
HTT P42858 3/20 0.45

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
SCHEMBL6676184 0.89 POLB (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6673833 0.81 RARA (0.53) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6674449 0.78 MEN1 (0.55) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL10941351 0.74 ALDH1A1 (0.68) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7152414 0.73 RARA (0.51) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL1483661 0.73 ALDH1A1 (0.56) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL11735134 0.73 MEN1 (0.66) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL30810715 0.72 CASP6 (0.72) TSHRLMNAPOLB
SCHEMBL145092 0.72 CASP6 (0.72) TSHRLMNAPOLB
SCHEMBL842661 0.72 CASP6 (0.72) TSHRLMNAPOLB

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 17 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-20020091262-A1 Substituted aryl or heteroarylamides having retinoid-like biological activity ALLERGAN 2002-07-11 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
US-5663357-A COMPOUNDS FOR TREATMENT OF SKIN DISORDERS ALLERGAN (US) 1997-09-02 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 MEN1 1642/4885KMT2A 1165/4885ALDH1A1 391/4885
US-20020091262-A1 Substituted aryl or heteroarylamides having retinoid-like biological activity CCR8, RXRA, CBR1 MEN1 3794/4885KMT2A 2801/4885ALDH1A1 1604/4885

“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.