SCHEMBL2396145

SCHEMBL2396145

COC(=O)c1ccc(NC(=O)c2cc3c4c(c2)CCCC4CCC3)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.42
NR3C1 P04150 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RNASEH1 O60930 1/20 0.37
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36

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
SCHEMBL2398284 0.90 RNASEH1 (0.41) ARNR3C1MAPTALDH1A1SMN1; SMN2
SCHEMBL2394943 0.81 RAB9A (0.44) L3MBTL1MAPTLMNAKDM4EALDH1A1
SCHEMBL2395484 0.81 AR (0.41) ARNR3C1L3MBTL1TDP1MAPT
SCHEMBL2396155 0.79 PTPN1 (0.51) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL2393644 0.75 NPC1 (0.50) MAPTALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL2396701 0.75 ALDH1A1 (0.49) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2394400 0.74 SMN1; SMN2 (0.51) MAPTKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL2392572 0.74 DEGS1 (0.48) TP53RAB9AMEN1KMT2AHSD17B10
SCHEMBL2393663 0.73 MAPKAPK2 (0.47) MAPTSMN1; SMN2TP53RAB9AMEN1
SCHEMBL2393104 0.73 NPC1 (0.44) MAPTALDH1A1SMN1; SMN2TP53RAB9A

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 AR 74/4885NR3C1 191/4885L3MBTL1 4033/4885

“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.