SCHEMBL3665626

SCHEMBL3665626

CC(C(=O)O)N([C]=O)c1cc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPT P10636 1/20 0.44
DAO P14920 1/20 0.44
SRD5A2 P31213 1/20 0.44
ALOX5 P09917 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FLT3 P36888 1/20 0.41
TSHR P16473 3/20 0.40
CCKAR P32238 1/20 0.40
IDO1 P14902 1/20 0.38

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
SCHEMBL3672340 0.85 TAS1R3 (0.46) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL28663705 0.84 KDM4E (0.47) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL19067175 0.79 KDM4E (0.46) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL88571 0.75 KDM4E (0.40) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL15661568 0.73 BRD4 (0.44) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL3667899 0.71 ALDH1A1 (0.41) HPGDALOX5LMNATP53ALDH1A1
SCHEMBL3103110 0.70 KDM4E (0.43) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL5449822 0.70 KDM4E (0.45) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL29875597 0.69 ALOX5 (0.57) KDM4EHPGDHSD17B10MAPTDAO
SCHEMBL1767751 0.69 ALOX5 (0.57) KDM4EHPGDHSD17B10MAPTDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US claimed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US claimed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP claimed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 WO claimed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 KDM4E 2766/4885HPGD 88/4885HSD17B10 267/4885

“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.