SCHEMBL2397423

SCHEMBL2397423

O=C(Nc1ccc(C(=O)O)c(O)c1)c1cc2c3c(c1)CCCC3CCC2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
PKM P14618 1/20 0.60
LY96 Q9Y6Y9 1/20 0.47
SIRT6 Q8N6T7 1/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
EPHX2 P34913 1/20 0.43
DEGS1 O15121 1/20 0.41
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL2393108 0.96 KMT2A (0.59) KMT2APKMLY96SIRT6RAB9A
SCHEMBL2394400 0.87 SMN1; SMN2 (0.51) KMT2APKMLY96RAB9ANPC1
SCHEMBL2398403 0.87 RARA (0.49) KMT2APKMLY96RAB9ANPC1
SCHEMBL2395262 0.87 CPT2 (0.46) KMT2APKMRAB9ANPC1TP53
SCHEMBL2396158 0.84 NPC1 (0.46) KMT2ARAB9ANPC1TP53GAA
SCHEMBL2390929 0.84 SMN1; SMN2 (0.50) KMT2APKMLY96RAB9ANPC1
SCHEMBL2392613 0.84 CPT2 (0.45) KMT2APKMRAB9ANPC1TP53
SCHEMBL2394623 0.84 RARA (0.48) KMT2APKMLY96RAB9ANPC1
SCHEMBL2394763 0.84 MEN1 (0.54) KMT2ARAB9ANPC1TP53GAA
SCHEMBL2396333 0.81 MCHR1 (0.46) KMT2ARAB9ANPC1TP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2189443-B1 TRICYCLIC AMIDE COMPOUND RES FOUND ITSUU LAB (JP) 2013-10-23 EP disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
EP-2189443-A1 TRICYCLIC AMIDE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP 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 (1 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-20110213157-A1 TRICYCLIC AMIDE COMPOUND RXRA, RXRB, RXRG KMT2A 1560/4885PKM 2418/4885LY96 4005/4885

“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.