SCHEMBL4617508

SCHEMBL4617508

COC(=O)c1cc(Oc2ccccc2N)ccc1NC(=O)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
HSD17B10 Q99714 5/20 0.53
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.46
ABL1 P00519 1/20 0.46
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL4603881 0.84 KMT2A (0.46) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL14451739 0.81 RXFP1 (0.48) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL13107241 0.81 RXFP1 (0.48) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL7118214 0.79 ALDH1A1 (0.54) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL4604780 0.78 KDM4E (0.60) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL12763828 0.74 KDM4E (0.51) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL4605407 0.73 PYGM (0.60) KDM4EHSD17B10ALDH1A1HPGDGAA
SCHEMBL4603406 0.72 GAA (0.53) KDM4EHSD17B10GAAPKMCYP3A4
SCHEMBL1338503 0.72 ALDH1A1 (0.51) KDM4EHSD17B10ALDH1A1HPGDNPSR1
SCHEMBL4605963 0.72 PKM (0.58) KDM4EHSD17B10ALDH1A1HPGDGAA

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
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 US 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-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 KDM4E 2898/4885HSD17B10 783/4885ALDH1A1 308/4885

“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.