SCHEMBL2394400

SCHEMBL2394400

COC(=O)c1ccc(NC(=O)c2cc3c4c(c2)CCCC4CCC3)cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
EPHX2 P34913 1/20 0.46
LY96 Q9Y6Y9 1/20 0.44
HSD11B1 P28845 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
PDK2 Q15119 2/20 0.41
PDK4 Q16654 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
NFKB1 P19838 2/20 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
SCHEMBL2390929 0.97 SMN1; SMN2 (0.50) SMN1; SMN2MAPTKDM4EMAPK1EPHX2
SCHEMBL2393104 0.88 NPC1 (0.44) SMN1; SMN2MAPTLY96KMT2ARAB9A
SCHEMBL2397091 0.88 NPC1 (0.46) SMN1; SMN2KDM4EKMT2ARAB9ANPC1
SCHEMBL2392825 0.88 SMN1; SMN2 (0.44) SMN1; SMN2MAPTKDM4EKMT2ARAB9A
SCHEMBL2397423 0.87 KMT2A (0.60) SMN1; SMN2MAPTKDM4EMAPK1EPHX2
SCHEMBL2396155 0.85 PTPN1 (0.51) SMN1; SMN2MAPTMAPK1EPHX2PKM
SCHEMBL2395673 0.85 NPC1 (0.43) SMN1; SMN2MAPTLY96KMT2ARAB9A
SCHEMBL2395776 0.85 MCHR1 (0.46) MAPTKDM4EKMT2ARAB9ANPC1
SCHEMBL2398309 0.85 SMN1; SMN2 (0.43) SMN1; SMN2MAPTKDM4EKMT2ARAB9A
SCHEMBL2393108 0.84 KMT2A (0.59) SMN1; SMN2MAPTKDM4EMAPK1EPHX2

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 SMN1; SMN2 2048/4885MAPT 3758/4885KDM4E 3386/4885

“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.