SCHEMBL95734

SCHEMBL95734

[CH2]c1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.82
KMT2A Q03164 1/20 0.82
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA7 P43166 1/20 0.64
ALDH1A1 P00352 8/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.55
TSHR P16473 1/20 0.55
TP53 P04637 1/20 0.54
RAB9A P51151 1/20 0.54
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
ME2 P23368 1/20 0.53

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
SCHEMBL31520485 0.91 MEN1 (1.00) MEN1KMT2ACA12CA1CA2
SCHEMBL27749455 0.82 NAMPT (0.64) MEN1KMT2AKDM4EPOLBTSHR
SCHEMBL6893687 0.82 ALDH1A1 (0.79) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL5315377 0.80 LTA4H (0.76) MEN1KMT2ACA12CA1CA2
SCHEMBL8585760 0.78 NPC1 (0.67) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL14192211 0.77 ALDH1A1 (0.72) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL5312292 0.77 LMNA (0.67) MEN1KMT2ACA12CA1CA2
SCHEMBL3839081 0.76 MEN1 (0.74) MEN1KMT2AALDH1A1NPC1SMN1; SMN2
SCHEMBL5312685 0.76 LTA4H (0.76) MEN1KMT2ACA12CA1CA2
Hydrochloric Acid SCHEMBL10681906 0.76 KMT2A (0.64) MEN1KMT2ACA12CA1CA2

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 11 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
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 MEN1 4401/4885KMT2A 1059/4885CA12 3743/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MEN1 3912/4885KMT2A 2732/4885CA12 1180/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MEN1 3912/4885KMT2A 2732/4885CA12 1180/4885

“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.