SCHEMBL3482935

SCHEMBL3482935

[CH2]CN(CCCC)C(=O)Nc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC3 O15379 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
EGFR P00533 2/20 0.58
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
ICMT O60725 1/20 0.49
ALB P02768 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 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
SCHEMBL2448810 0.91 HDAC6 (0.65) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL25272620 0.88 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL14228915 0.88 HDAC6 (0.62) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL9142262 0.87 ALDH1A1 (0.65) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL10596306 0.86 CA12 (0.61) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL9435656 0.84 CA12 (0.64) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL25276969 0.84 CA12 (0.64) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL11141720 0.84 HDAC6 (0.77) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL25277617 0.83 HDAC6 (0.57) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL25272478 0.82 ICMT (0.59) HDAC6HDAC1HDAC3HDAC2HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 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 (5 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R HDAC6 1771/4885HDAC1 1090/4885HDAC3 1082/4885
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 HDAC6 1591/4885HDAC1 1426/4885HDAC3 520/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 HDAC6 1591/4885HDAC1 1426/4885HDAC3 520/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 HDAC6 173/4885HDAC1 322/4885HDAC3 719/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 HDAC6 1591/4885HDAC1 1426/4885HDAC3 520/4885

“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.