SCHEMBL2394731

SCHEMBL2394731

COC(=O)c1ccc(C(=O)Nc2cc3c4c(c2)CCCC4(C)CCC3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
ATM Q13315 1/20 0.47
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
KMT2A Q03164 3/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 3/20 0.46
NFKB1 P19838 3/20 0.46
NFKB2 Q00653 3/20 0.46
RELA Q04206 3/20 0.46
MAPT P10636 1/20 0.46
TP53 P04637 3/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 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
SCHEMBL2394353 0.91 NPC1 (0.50) KDM4ERAB9ANPC1ATMRARA
SCHEMBL11955422 0.87 MEN1 (0.55) RAB9ANPC1RARARARBRARG
SCHEMBL2392818 0.86 MAPK1 (0.48) KDM4ERAB9ANPC1ATMKMT2A
SCHEMBL11956666 0.85 MAPK1 (0.47) KDM4ERAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL2396265 0.82 SMN1; SMN2 (0.44) KDM4ERAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL2397298 0.80 MEN1 (0.46) KDM4ERAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL2390930 0.79 SMN1; SMN2 (0.50) KDM4ERAB9ANPC1RARARARB
SCHEMBL829378 0.79 NOTUM (0.39) KDM4ERAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL2396701 0.79 ALDH1A1 (0.49) KDM4ERAB9ANPC1ATMKMT2A
SCHEMBL2394957 0.79 MEN1 (0.54) RAB9ANPC1RARARARBRARG

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 KDM4E 3386/4885RAB9A 1612/4885NPC1 905/4885

“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.