SCHEMBL4839338

SCHEMBL4839338

COC(=O)c1ccccc1NCF

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
GLA P06280 1/20 0.68
POLB P06746 1/20 0.62
ATM Q13315 1/20 0.62
KMT2A Q03164 2/20 0.62
MAPT P10636 2/20 0.57
ALOX15 P16050 1/20 0.57
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
GAA P10253 3/20 0.55
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 4/20 0.53
TSHR P16473 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
HTT P42858 1/20 0.52
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52

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
SCHEMBL6318031 0.85 KDM4E (0.72) KDM4EGLAPOLBATMKMT2A
SCHEMBL1903514 0.84 KDM4E (0.70) KDM4EGLAPOLBATMKMT2A
Hydrochloric Acid SCHEMBL27603991 0.82 KDM4E (0.68) KDM4EGLAPOLBATMKMT2A
SCHEMBL8884667 0.81 KDM4E (0.62) KDM4EGLAPOLBATMKMT2A
SCHEMBL6513253 0.81 KDM4E (1.00) KDM4EGLAPOLBATMKMT2A
SCHEMBL7435213 0.81 KDM4E (0.66) KDM4EGLAPOLBATMKMT2A
SCHEMBL11162243 0.81 KDM4E (0.66) KDM4EGLAPOLBATMKMT2A
SCHEMBL7819029 0.81 KDM4E (0.76) KDM4EGLAPOLBATMKMT2A
SCHEMBL2707530 0.81 KDM4E (0.66) KDM4EGLAPOLBATMKMT2A
SCHEMBL10434274 0.79 KDM4E (0.69) KDM4EGLAPOLBATMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 KDM4E 2781/4885GLA 4300/4885POLB 3024/4885

“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.