SCHEMBL1033075

SCHEMBL1033075

Cc1ccc2c(c1)CC(=O)N2c1c(F)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
GAA P10253 4/20 0.54
PDE5A O76074 1/20 0.42
PKM P14618 1/20 0.42
CASP6 P55212 2/20 0.41
MAPK14 Q16539 1/20 0.38
NMBR P28336 1/20 0.37
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35
TLR9 Q9NR96 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1032873 0.91 MEN1 (0.64) MEN1KMT2AGAAPDE5ACASP6
SCHEMBL6036703 0.85 MEN1 (0.44) MEN1KMT2AGAAPDE5APKM
SCHEMBL1034803 0.84 MEN1 (0.51) MEN1KMT2AGAAPKMCASP6
SCHEMBL1033062 0.81 MEN1 (0.51) MEN1KMT2AGAAPDE5ACASP6
SCHEMBL7638721 0.80 KMT2A (0.48) MEN1KMT2AGAAPDE5ACASP6
SCHEMBL1032049 0.77 PDE5A (0.42) MEN1KMT2AGAAPDE5ACASP6
SCHEMBL9525943 0.75 MEN1 (0.65) MEN1KMT2AGAACASP6MAPK14
SCHEMBL3036904 0.74 MEN1 (0.64) MEN1KMT2AGAACASP6MAPK14
SCHEMBL1029140 0.72 KMT2A (0.52) MEN1KMT2AGAACASP6MAPK14
SCHEMBL2343941 0.72 HPGD (0.65) MEN1KMT2AGAAPDE5APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906677-B2 Process for phenylacetic acid derivatives NOVARTIS AG (CH) 2011-03-15 US disclosed
EP-2275403-A1 Process for phenylacetic acid derivatives Novartis AG (CH) 2011-01-19 EP disclosed
US-20090275758-A1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2009-11-05 US disclosed
EP-1216226-B1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES NOVARTIS AG (CH) 2009-11-04 EP disclosed
US-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2009-07-30 US disclosed
US-20080249318-A1 Process for phenylacetic acid derivatives ACEMOGLU MURAT 2008-10-09 US disclosed
US-20080227845-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION CHEN YING-NAN PAN 2008-09-18 US disclosed
US-7402603-B2 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination NOVARTIS AG (CH) 2008-07-22 US disclosed
EP-1443967-B1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION NOVARTIS AG (CH) 2007-01-24 EP disclosed
US-7115662-B2 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives NOVARTIS AG (CH) 2006-10-03 US disclosed
US-20050032899-A1 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination NOVARTIS AG (CH) 2005-02-10 US disclosed
EP-1443967-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION Novartis AG (CH) 2004-08-11 EP disclosed
US-20040122254-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives NOVARTIS TIERGESUNDHEIT AG (CH) 2004-06-24 US disclosed
US-6727281-B2 SELECTIVE CYCLOOXYGENASE-2(COX-2) INHIBITORS NOVARTIS AG (CH) 2004-04-27 US disclosed
WO-2003039599-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION NOVARTIS AG (CH) 2003-05-15 WO disclosed
US-20020183391-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives NOVARTIS TIERGESUNDHEIT AG (CH) 2002-12-05 US disclosed
US-6451858-B2 FOR THERAPY OF INFLAMMATION, PYRESIS, PAIN, OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, MIGRAINE HEADACHE, CANCER, MELANOMA, MULTIPLE SCLEROSIS, ALZHEIMER'S DISEASE, OSTEOPOROSIS, ASTHMA, LUPUS AND PSORIASIS; SIDE EFFECT REDUCTION NOVARTIS AG (CH) 2002-09-17 US disclosed
US-20020013369-A1 Certain 5-alkyl-2arylaminophenylacetic acids and derivatives NOVARTIS TIERGESUNDHEIT AG (CH) 2002-01-31 US disclosed
US-6310099-B1 5-METHYL OR ETHYL-2-(2-'CHLORO OR FLUORO OR TRIFLUROMETHYL-6'FLUORO OR CHLOROANILINO) PHENYLACETIC ACID OR SALT IS USED AS COX-2 SELECTIVE CYCLOOXYGENASE INHIBITOR NOVARTIS AG (CH) 2001-10-30 US disclosed
US-6291523-B1 SELECTIVE COX-2 CYCLOOXYGENASE INHIBITORS NOVARTIS AG (CH) 2001-09-18 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 (8 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-20090192211-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION HDAC2, HDAC9, HDAC1 MEN1 3476/4885KMT2A 25/4885GAA 3032/4885
US-20020013369-A1 Certain 5-alkyl-2arylaminophenylacetic acids and derivatives HCAR2, CYP2F1, CYP2E1 MEN1 3061/4885KMT2A 407/4885GAA 2349/4885
US-20040122254-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives CYP2F1, CYP2E1, PTGER1 MEN1 3836/4885KMT2A 647/4885GAA 3205/4885
US-20080249318-A1 Process for phenylacetic acid derivatives ALDH7A1, CYP4F11, CYP2A6 MEN1 2959/4885KMT2A 1314/4885GAA 300/4885
US-20080227845-A1 CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION HDAC2, HDAC9, HDAC1 MEN1 3476/4885KMT2A 25/4885GAA 3032/4885
US-20050032899-A1 Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination HDAC2, HDAC9, HDAC1 MEN1 3476/4885KMT2A 25/4885GAA 3032/4885
US-20020183391-A1 Certain 5-alkyl-2-arylaminophenylacetic acids and derivatives CYP2F1, CYP2E1, PTGER1 MEN1 3836/4885KMT2A 647/4885GAA 3205/4885
US-20090275758-A1 PROCESS FOR PHENYLACETIC ACID DERIVATIVES ALDH7A1, CYP4F11, CYP2A6 MEN1 2959/4885KMT2A 1314/4885GAA 300/4885

“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.