SCHEMBL2845353

SCHEMBL2845353

COC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
RAF1 P04049 1/20 0.46
HPGD P15428 6/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
GLA P06280 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.44
MPO P05164 1/20 0.44
MAPK14 Q16539 2/20 0.43
POLB P06746 1/20 0.43
MAPK13 O15264 1/20 0.43
GCGR P47871 1/20 0.43

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
SCHEMBL11839513 0.86 KDM4E (0.55) KDM4ERAF1HPGDALDH1A1KMT2A
Hydrochloric Acid SCHEMBL11837429 0.85 KDM4E (0.57) KDM4ERAF1HPGDALDH1A1KMT2A
SCHEMBL7267240 0.84 CHRM1 (0.55) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL7265476 0.84 KDM4E (0.60) KDM4EHPGDALDH1A1KMT2AMEN1
Sulfuric Acid SCHEMBL11845892 0.82 KDM4E (0.50) KDM4ERAF1HPGDALDH1A1KMT2A
SCHEMBL38663392 0.79 KDM4E (0.43) KDM4EHPGDALDH1A1KMT2AMEN1
SCHEMBL8119778 0.78 FAAH (0.52) KDM4EHPGDKMT2AMEN1MAPT
SCHEMBL9193870 0.77 RXRA (0.51) KDM4EHPGDKMT2AMEN1MAPT
SCHEMBL9518314 0.76 ADORA3 (0.56) KDM4ERAF1HPGDALDH1A1MAPT
SCHEMBL9194933 0.76 FAAH (0.41) KDM4EHPGDALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 WO 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A KDM4E 3186/4885RAF1 1633/4885HPGD 2049/4885

“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.