SCHEMBL5042223

SCHEMBL5042223

CC(=O)N1c2c(ccn3c(C)c(C)nc23)C=CC1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.35
ATP4B P51164 2/20 0.35
HCRTR1 O43613 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 2/20 0.32
ELANE P08246 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
KIF11 P52732 1/20 0.31
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30

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 0.78 KDM4E (0.34) ATP4AATP4BHCRTR1TP53MAPT
SCHEMBL6529295 0.73 ELANE (0.35) ATP4AATP4BHCRTR1TP53MAPT
SCHEMBL7107773 0.73 ELANE (0.35) ATP4AATP4BHCRTR1TP53MAPT
SCHEMBL5037175 0.73 ELANE (0.35) ATP4AATP4BHCRTR1TP53MAPT
SCHEMBL5041462 0.73 ELANE (0.38) ATP4AATP4BALDH1A1ELANECYP3A4
SCHEMBL5044812 0.73 KIF11 (0.38) ATP4AATP4BCYP3A4CYP2C9KDM4E
SCHEMBL5746631 0.73 ELANE (0.34) ATP4AATP4BALDH1A1ELANECYP3A4
SCHEMBL6672735 0.73 ELANE (0.37) ATP4AATP4BALDH1A1ELANECYP3A4
SCHEMBL5744048 0.73 ELANE (0.37) ATP4AATP4BALDH1A1ELANECYP3A4
SCHEMBL4972810 0.67 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 9 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
EP-1414821-A1 TRICYCLIC EPOXIDES ALTANA Pharma AG (DE) 2004-05-06 EP disclosed
WO-2003068774-A1 TRICYCLIC N-ACYL COMPOUNDS ALTANA PHARMA AG (DE) 2003-08-21 WO disclosed
WO-2003014119-A1 TRICYCLIC EPOXIDES ALTANA PHARMA AG (DE) 2003-02-20 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 ATP4A 2068/4885ATP4B 1914/4885HCRTR1 3336/4885
US-20040176597-A1 Tricyclic epoxides VKORC1, CYP2E1, CYP1A2 ATP4A 1792/4885ATP4B 2262/4885HCRTR1 1318/4885

“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.