SCHEMBL2034601

SCHEMBL2034601

COc1ccc2[nH]c3c(c2c1)C1(CC1)CN(C(=O)Nc1cc(C)cc(C)c1)C3c1cccc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 4/20 0.51
TP53 P04637 5/20 0.48
MAPT P10636 3/20 0.48
KIF11 P52732 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ABCG2 Q9UNQ0 3/20 0.40
ABCB1 P08183 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LHCGR P22888 1/20 0.40
USP2 O75604 3/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2033427 0.90 KIF11 (0.44) PAX8TP53MAPTKIF11SMN1; SMN2
SCHEMBL1000909 0.88 PAX8 (0.45) PAX8TP53MAPTKIF11NPSR1
SCHEMBL998229 0.87 ABCG2 (0.50) PAX8TP53MAPTKIF11NPSR1
SCHEMBL2032521 0.86 TP53 (0.46) PAX8TP53MAPTKIF11SMN1; SMN2
SCHEMBL997552 0.85 PAX8 (0.44) PAX8TP53MAPTKIF11NPSR1
SCHEMBL998373 0.85 PAX8 (0.44) PAX8TP53MAPTKIF11NPSR1
SCHEMBL997842 0.85 TP53 (0.53) PAX8TP53MAPTABCG2ABCB1
SCHEMBL996806 0.85 KIF11 (0.41) PAX8TP53MAPTKIF11SMN1; SMN2
SCHEMBL1000385 0.84 TP53 (0.45) PAX8TP53MAPTKIF11ABCG2
SCHEMBL998843 0.83 TP53 (0.44) PAX8TP53MAPTKIF11NPSR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2013-09-26 US claimed
US-20110207700-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 US claimed
US-20080114012-A1 Tricyclic Compound And Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-15 US claimed
EP-1829874-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-09-05 EP claimed
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2015-04-16 US disclosed
US-8952158-B2 Tricyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2015-02-10 US disclosed
EP-1829874-B1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO (JP) 2014-02-12 EP disclosed
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2013-09-26 US disclosed
US-8476293-B2 Tricyclic compound and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20110207700-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 US disclosed
US-7964726-B2 1-(1,3-benzodioxol-5-yl)-N-(3,5-dimethylphenyl)-1,9-dihydrospiro[ beta -carboline-4,1'-cyclopropane]-2(3H)-carboxamide; mitochondrial benzodiazepine receptor modulator; digestive system disease caused by stress: irritable bowel syndrome, ulcerative colitis, or Crohn's disease ONO PHARMACEUTICAL CO., LTD. (JP) 2011-06-21 US disclosed
US-20080114012-A1 Tricyclic Compound And Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-15 US disclosed
EP-1829874-A1 TRICYCLIC COMPOUND AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-09-05 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 (4 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-20110207700-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 PAX8 4737/4885TP53 784/4885MAPT 2331/4885
US-20150105415-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 PAX8 4737/4885TP53 784/4885MAPT 2331/4885
US-20130252993-A1 TRICYCLIC COMPOUND AND USE THEREOF SI, ALPI, SLC10A2 PAX8 4737/4885TP53 784/4885MAPT 2331/4885
US-20080114012-A1 Tricyclic Compound And Use Thereof SI, ALPI, SLC10A2 PAX8 4715/4885TP53 881/4885MAPT 2402/4885

“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.