SCHEMBL4019481

SCHEMBL4019481

CC(C)(C)n1nc(C(N)=O)cc1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
CHRNA7 P36544 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.41
GRM2 Q14416 4/20 0.40
PTGS2 P35354 1/20 0.40
FPR2 P25090 2/20 0.40
SCN9A Q15858 2/20 0.40
RIPK2 O43353 1/20 0.40
SMPD1 P17405 1/20 0.39
NR1I2 O75469 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL4009954 0.85 PLA2G10 (0.48) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15750780 0.84 CCNC (0.42) GRM2RIPK2
SCHEMBL17259224 0.81 CHRNA7 (0.58) KDM4EALDH1A1HPGDCHRNA7
SCHEMBL15750638 0.77 ALDH1A1 (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL15750440 0.77 MKNK1 (0.45) ALDH1A1RIPK2
SCHEMBL9209581 0.74 MEN1 (0.60) CHRNA7MEN1KMT2AATMPTGS2
SCHEMBL17259299 0.74 KDM4E (0.37) KDM4EALDH1A1CHRNA7KMT2AATM
SCHEMBL17259225 0.74 KDM4E (0.40) KDM4EALDH1A1CHRNA7PTGS2KCNH2
SCHEMBL27694888 0.73 KMT2A (0.71) CHRNA7MEN1KMT2AATMPTGS2
SCHEMBL28035847 0.73 SMPD1 (0.67) KDM4EALDH1A1HPGDSMPD1

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-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
WO-2009011850-A2 NOVEL THERAPEUTIC COMPOUNDS ABBOTT LABORATORIES (US) 2009-01-22 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 KDM4E 4055/4885ALDH1A1 1426/4885HPGD 1034/4885

“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.