SCHEMBL94830

SCHEMBL94830

[CH2]c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.88
MEN1 O00255 11/20 0.88
THRA P10827 1/20 0.75
NPC1 O15118 5/20 0.71
RAB9A P51151 5/20 0.71
MAPT P10636 4/20 0.71
ALDH1A1 P00352 1/20 0.71
POLB P06746 2/20 0.71
BLM P54132 1/20 0.71
PKM P14618 1/20 0.67
LMNA P02545 2/20 0.65
HPGD P15428 1/20 0.65
ATM Q13315 1/20 0.65
SETD7 Q8WTS6 1/20 0.64
CASP3 P42574 1/20 0.64
SENP8 Q96LD8 1/20 0.64
SENP7 Q9BQF6 1/20 0.64
SENP6 Q9GZR1 1/20 0.64
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62

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
SCHEMBL27657642 0.88 KMT2A (0.88) KMT2AMEN1THRANPC1RAB9A
SCHEMBL30868371 0.88 KMT2A (0.88) KMT2AMEN1THRANPC1RAB9A
SCHEMBL299879 0.88 KMT2A (0.88) KMT2AMEN1THRANPC1RAB9A
SCHEMBL6816842 0.87 KMT2A (0.86) KMT2AMEN1THRANPC1RAB9A
SCHEMBL8711130 0.87 MEN1 (0.86) KMT2AMEN1THRANPC1RAB9A
SCHEMBL27903466 0.87 KMT2A (0.86) KMT2AMEN1THRANPC1RAB9A
SCHEMBL8713931 0.87 KMT2A (0.86) KMT2AMEN1THRANPC1RAB9A
SCHEMBL10943066 0.86 KMT2A (0.94) KMT2AMEN1THRANPC1RAB9A
SCHEMBL12338884 0.86 MEN1 (0.83) KMT2AMEN1THRANPC1RAB9A
SCHEMBL6154165 0.86 KMT2A (0.83) KMT2AMEN1THRANPC1RAB9A

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 12 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
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (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 KMT2A 1059/4885MEN1 4401/4885THRA 3983/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KMT2A 2732/4885MEN1 3912/4885THRA 1425/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KMT2A 2732/4885MEN1 3912/4885THRA 1425/4885

“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.