SCHEMBL5040327

SCHEMBL5040327

CC(=O)OC1=C[C@@H](c2ccccc2)N(C(C)=O)c2c1ccn1c(C)c(C)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ATP4A P20648 2/20 0.32
ATP4B P51164 2/20 0.32
ALOX15 P16050 3/20 0.32
MAPT P10636 3/20 0.32
MAPK1 P28482 2/20 0.32
HCRTR1 O43613 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
ELANE P08246 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL5040385 1.00 KDM4E (0.34) KDM4EGAANPSR1ATP4AATP4B
SCHEMBL5042223 0.78 ATP4A (0.35) KDM4EATP4AATP4BALOX15MAPT
SCHEMBL5041462 0.74 ELANE (0.38) KDM4ENPSR1ATP4AATP4BALDH1A1
SCHEMBL6672735 0.73 ELANE (0.37) KDM4EATP4AATP4BALDH1A1TSHR
SCHEMBL5744048 0.73 ELANE (0.37) KDM4EATP4AATP4BALDH1A1TSHR
SCHEMBL7107773 0.69 ELANE (0.35) KDM4EATP4AATP4BALOX15MAPT
SCHEMBL6529295 0.69 ELANE (0.35) KDM4EATP4AATP4BALOX15MAPT
SCHEMBL5044812 0.69 KIF11 (0.38) KDM4EGAAATP4AATP4B
SCHEMBL5746631 0.69 ELANE (0.34) KDM4EATP4AATP4BALDH1A1ELANE
SCHEMBL4972810 0.66 ELANE (0.32) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314935-B2 Tricyclic n-acyl compounds ALTANA PHARMA AG (DE) 2008-01-01 US disclosed
EP-1414821-B1 TRICYCLIC EPOXIDES ALTANA PHARMA AG (DE) 2006-08-16 EP disclosed
US-6927292-B2 Tricyclic epoxides ALTANA PHARMA AG (DE) 2005-08-09 US disclosed
US-20050148618-A1 Tricyclic n-acyl compounds ALTANA PHARMA AG (DE) 2005-07-07 US disclosed
EP-1476445-A1 TRICYCLIC N-ACYL COMPOUNDS ALTANA Pharma AG (DE) 2004-11-17 EP disclosed
US-20040176597-A1 Tricyclic epoxides ALTANA PHARMA AG (DE) 2004-09-09 US disclosed
WO-2003068774-A1 TRICYCLIC N-ACYL COMPOUNDS ALTANA PHARMA AG (DE) 2003-08-21 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 (2 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-20050148618-A1 Tricyclic n-acyl compounds NAT1, AADAC, CYP1B1 KDM4E 2624/4885GAA 229/4885NPSR1 1489/4885
US-20040176597-A1 Tricyclic epoxides VKORC1, CYP2E1, CYP1A2 KDM4E 1288/4885GAA 798/4885NPSR1 1051/4885

“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.