SCHEMBL9828913

SCHEMBL9828913

Cc1cccc(C(=O)NC(C)(C)C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
CYP2C19 P33261 1/20 0.57
KCNK3 O14649 3/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
KCNK9 Q9NPC2 2/20 0.54
KCNH2 Q12809 1/20 0.54
POLB P06746 2/20 0.54
MAPT P10636 2/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
ABCB1 P08183 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KAT6A Q92794 1/20 0.49
NT5E P21589 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
SCHEMBL10260916 0.84 CYP2C19 (0.71) SMN1; SMN2HDAC8HDAC6CYP2C19KCNK3
SCHEMBL12301912 0.84 HDAC8 (0.56) SMN1; SMN2HDAC8HDAC6CYP2C19KCNK3
SCHEMBL28446984 0.84 HDAC8 (0.56) SMN1; SMN2HDAC8HDAC6CYP2C19KCNK3
SCHEMBL343830 0.82 POLB (0.65) SMN1; SMN2HDAC8HDAC6KCNK9POLB
SCHEMBL28451351 0.82 KCNK3 (0.53) SMN1; SMN2CYP2C19KCNK3MEN1KMT2A
SCHEMBL28088740 0.82 TP53BP1 (0.52) SMN1; SMN2CYP2C19POLBNPC1RAB9A
SCHEMBL28443247 0.82 NPC1 (0.58) SMN1; SMN2HDAC6CYP2C19KCNK3MEN1
SCHEMBL17140602 0.81 SMN1; SMN2 (0.54) SMN1; SMN2HDAC8HDAC6CYP2C19KCNK3
SCHEMBL8403994 0.81 HDAC8 (0.53) SMN1; SMN2HDAC8HDAC6CYP2C19KCNK3
SCHEMBL28447587 0.80 HDAC8 (0.51) SMN1; SMN2HDAC8HDAC6CYP2C19KCNK3

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111196772-B Aroylamino isobutyryl derivative and application thereof 沈阳化工研究院有限公司 2022-09-30 CN disclosed
CN-111196772-A Aroylamino isobutyryl derivative and application thereof 沈阳化工研究院有限公司 2020-05-26 CN disclosed
EP-1757582-B1 ARYLALKYLAMINES AND PROCESS FOR PRODUCTION THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2015-12-30 EP disclosed
US-8759387-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-24 US disclosed
US-8759387-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-06-24 US disclosed
US-8703721-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-04-22 US disclosed
US-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-03-20 US disclosed
US-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-03-20 US disclosed
US-8492111-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-23 US disclosed
US-8492111-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-07-23 US disclosed
US-8362274-B2 Arylalkylamine compound and process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-01-29 US disclosed
US-20110218160-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2011-09-08 US disclosed
US-20110218160-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2011-09-08 US disclosed
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2010-09-30 US disclosed
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME MIYAZAKI HIROSHI 2010-09-30 US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 US disclosed
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-09-27 US disclosed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 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-20140080770-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME NAT1, INMT, ARSA SMN1; SMN2 3351/4885HDAC8 2208/4885HDAC6 505/4885
US-20110218160-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, CNR2 SMN1; SMN2 3720/4885HDAC8 2421/4885HDAC6 2429/4885
US-20070225296-A1 Arylalkylamine Compound and Process for Preparing the Same CASR, CNR1, CNR2 SMN1; SMN2 3720/4885HDAC8 2421/4885HDAC6 2429/4885
US-20100249049-A1 ARYLALKYLAMINE COMPOUND AND PROCESS FOR PREPARING THE SAME CASR, CNR1, CNR2 SMN1; SMN2 3720/4885HDAC8 2421/4885HDAC6 2429/4885

“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.