SCHEMBL996744

SCHEMBL996744

COC(=O)N1CC2(CC2)c2c([nH]c3ccccc23)C1c1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 1/20 0.42
TP53 P04637 2/20 0.40
ABCB1 P08183 4/20 0.39
ABCG2 Q9UNQ0 4/20 0.39
LMNA P02545 2/20 0.38
STAT3 P40763 1/20 0.37
PAX8 Q06710 2/20 0.37
GAA P10253 1/20 0.37
ERAP1 Q9NZ08 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SHMT2 P34897 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
SCHEMBL998139 0.94 MAPT (0.42) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL998213 0.91 MAPT (0.48) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL997417 0.90 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL999146 0.88 KIF11 (0.43) TP53ABCB1ABCG2LMNASTAT3
SCHEMBL999901 0.87 ABCG2 (0.52) KDM4EMAPTTP53ABCB1ABCG2
SCHEMBL999049 0.87 MAPT (0.43) ALDH1A1MEN1KMT2AKDM4ERAB9A
SCHEMBL1001235 0.87 ABCB1 (0.48) MEN1KMT2APOLBMAPTTP53
SCHEMBL997758 0.86 ABCG2 (0.41) TP53ABCB1ABCG2LMNASTAT3
SCHEMBL1000867 0.85 MAPT (0.42) ALDH1A1KDM4EPOLBMAPTABCB1
SCHEMBL997421 0.84 NPC1 (0.45) ALDH1A1MEN1KMT2AKDM4ERAB9A

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 ALDH1A1 1422/4885MEN1 1017/4885KMT2A 2539/4885

“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.