SCHEMBL95731

SCHEMBL95731

[CH2]c1ccc(NC(=O)c2ccccc2Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 8/20 0.71
JAK2 O60674 1/20 0.66
TYK2 P29597 1/20 0.66
KMT2A Q03164 2/20 0.65
MAPT P10636 2/20 0.65
MAPK1 P28482 2/20 0.65
RAB9A P51151 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
TDP1 Q9NUW8 2/20 0.65
GRM4 Q14833 1/20 0.65
MEN1 O00255 1/20 0.65
NPC1 O15118 1/20 0.65
RORC P51449 1/20 0.60
CYP1A2 P05177 1/20 0.59
HPGD P15428 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
CYP11B2 P19099 1/20 0.56
KCNK3 O14649 1/20 0.56

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
SCHEMBL2117583 0.86 SMO (0.75) SMOJAK2TYK2KMT2AMAPT
SCHEMBL1203522 0.85 SMO (0.80) SMOJAK2TYK2KMT2AMAPT
SCHEMBL5387595 0.84 SMO (0.73) SMOJAK2TYK2KMT2AMAPT
SCHEMBL19500975 0.83 SMO (0.76) SMOJAK2TYK2KMT2AMAPT
SCHEMBL6300608 0.83 SMO (0.71) SMOJAK2TYK2KMT2AMAPT
SCHEMBL1058228 0.83 SMO (0.71) SMOJAK2TYK2KMT2AMAPT
SCHEMBL6819083 0.83 SMO (0.71) SMOJAK2TYK2KMT2AMAPT
SCHEMBL8055108 0.83 SMO (0.71) SMOJAK2TYK2KMT2AMAPT
SCHEMBL14825061 0.83 SMO (0.76) SMOJAK2TYK2KMT2AMAPT
SCHEMBL31078118 0.83 SMO (1.00) SMOJAK2TYK2KMT2AMAPT

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 SMO 2333/4885JAK2 114/4885TYK2 1109/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 SMO 123/4885JAK2 92/4885TYK2 609/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 SMO 123/4885JAK2 92/4885TYK2 609/4885

“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.