SCHEMBL1000407

SCHEMBL1000407

CC(=O)N1CCc2c([nH]c3ncccc23)C1c1cc(F)ccc1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 3/20 0.52
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.52
RECQL P46063 1/20 0.52
RAB9A P51151 1/20 0.52
KIF11 P52732 4/20 0.47
ABCB1 P08183 3/20 0.44
ABCG2 Q9UNQ0 3/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.42
STAT3 P40763 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
SHMT2 P34897 1/20 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
SCHEMBL997680 0.92 STAT3 (0.47) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL998810 0.91 ALDH1A1 (0.52) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL998488 0.89 ABCB1 (0.56) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL997471 0.86 MAPT (0.55) MEN1KMT2APOLBRAB9AKIF11
SCHEMBL995264 0.86 POLB (0.51) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL998821 0.85 KIF11 (0.56) MEN1KMT2AKDM4EKIF11ABCB1
SCHEMBL1000663 0.85 ABCB1 (0.56) MEN1KMT2AKDM4ERAB9AKIF11
SCHEMBL997315 0.85 ABCB1 (0.47) MEN1KMT2AALDH1A1POLBKDM4E
SCHEMBL1000979 0.85 KIF11 (0.51) MEN1KMT2ARAB9AKIF11ABCB1
SCHEMBL998836 0.84 KIF11 (0.47) MEN1KMT2AALDH1A1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872133-B2 Tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2011-01-18 US disclosed
US-20060154944-A1 Novel tricyclic heterocycle compound ONO PHARMACEUTICAL CO., LTD. (JP) 2006-07-13 US disclosed
EP-1637521-A1 NOVEL TRICYCLIC HETEROCYCLE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2006-03-22 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-20060154944-A1 Novel tricyclic heterocycle compound CYP11B1, CYP11B2, HCCS MEN1 1017/4885KMT2A 2539/4885ALDH1A1 1422/4885

“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.