SCHEMBL2398113

SCHEMBL2398113

COC(=O)c1ccc(C(=O)Nc2ccc3c4c2CCCC4CCC3)cn1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 8/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
AHR P35869 1/20 0.42
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL2392565 0.82 MAPK1 (0.48) P4HTMMAPK1MEN1KMT2AKDM4E
SCHEMBL2390940 0.81 MAPK1 (0.44) P4HTMMAPK1MEN1KMT2AAHR
SCHEMBL2393663 0.76 MAPKAPK2 (0.47) P4HTMMAPK1MEN1KMT2AMAPT
SCHEMBL2394759 0.74 MAPK1 (0.49) P4HTMMAPK1MEN1KMT2AKDM4E
SCHEMBL2393099 0.72 P4HTM (0.55) P4HTMKMT2AKDM4EL3MBTL1ALDH1A1
SCHEMBL2394634 0.72 MAPK1 (0.48) P4HTMMAPK1MEN1KMT2AKDM4E
SCHEMBL2395243 0.71 P4HTM (0.47) P4HTMMAPK1KDM4EL3MBTL1
SCHEMBL2392572 0.70 DEGS1 (0.48) MEN1KMT2A
SCHEMBL11956666 0.69 MAPK1 (0.47) P4HTMMAPK1MEN1KMT2AAHR
SCHEMBL2392793 0.67 DEGS1 (0.50) MEN1KMT2A

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 4 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-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 P4HTM 1693/4885MAPK1 3796/4885MEN1 3029/4885

“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.