SCHEMBL2394945

SCHEMBL2394945

O=C(O)c1ccc(C(=O)Nc2cc3c4c(c2)CCCCC4CCCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
NFKB1 P19838 3/20 0.51
NFKB2 Q00653 3/20 0.51
RELA Q04206 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
TP53 P04637 2/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
HDAC3 O15379 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
DEGS1 O15121 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
FFAR1 O14842 1/20 0.46
CNR1 P21554 1/20 0.45

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
SCHEMBL2394947 0.96 RAB9A (0.52) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL2393053 0.91 MEN1 (0.52) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL2394763 0.86 MEN1 (0.54) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL2393106 0.86 ALDH1A1 (0.48) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL2391520 0.85 RAB9A (0.45) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL830021 0.85 KMO (0.42) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL2396701 0.82 ALDH1A1 (0.49) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL2396462 0.81 RAB9A (0.46) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL829800 0.81 ALDH1A1 (0.41) RAB9ANPC1NFKB1NFKB2RELA
SCHEMBL2393099 0.80 P4HTM (0.55) RAB9ANPC1SMN1; SMN2HTTKMT2A

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 6 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-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 RAB9A 1612/4885NPC1 905/4885NFKB1 2931/4885

“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.