SCHEMBL95772

SCHEMBL95772

[CH2]c1ccc(C(=O)N(CC)Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MLYCD O95822 4/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LSS P48449 1/20 0.48
LPAR1 Q92633 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44
SLC2A1 P11166 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
TP53 P04637 1/20 0.42
S1PR1 P21453 1/20 0.42

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
SCHEMBL7281175 0.83 MLYCD (0.69) MLYCDMEN1KMT2A
SCHEMBL2960979 0.81 USP2 (0.58) HDAC1HDAC6MEN1KMT2A
SCHEMBL95412 0.81 HDAC1 (0.52) HDAC1HDAC6MEN1KMT2ALPAR1
SCHEMBL5543735 0.78 HPGD (0.61) MLYCDMEN1KMT2A
SCHEMBL94674 0.78 ALDH1A1 (0.68) HDAC1HDAC6LPAR1LPAR5TP53
SCHEMBL29190281 0.76 HDAC1 (0.60) HDAC1HDAC6MLYCDMEN1KMT2A
SCHEMBL3963059 0.75 ALDH1A1 (0.54) MEN1KMT2ALSS
SCHEMBL13431565 0.75 HDAC1 (0.52) HDAC1HDAC6MLYCDLPAR1LPAR5
SCHEMBL15221193 0.74 MLYCD (0.71) HDAC1HDAC6MLYCDTP53
SCHEMBL13431540 0.74 HSD11B1 (0.51) HDAC1HDAC6MLYCDSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB HDAC1 476/4885HDAC6 1080/4885MLYCD 4635/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HDAC1 1814/4885HDAC6 2093/4885MLYCD 3616/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HDAC1 1814/4885HDAC6 2093/4885MLYCD 3616/4885

“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.