SCHEMBL4090010

SCHEMBL4090010

CCOC(=O)CCc1ccc(NC(=O)c2nc(C(C)(C)C)n(-c3ccccc3)n2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HPGD P15428 5/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 4/20 0.40
NTRK1 P04629 1/20 0.40
KDM4E B2RXH2 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
RIPK1 Q13546 4/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL4088640 0.89 MAPK14 (0.44) MEN1KMT2AHPGDPOLBMAPT
SCHEMBL13901659 0.78 S1PR1 (0.41) POLBMAPT
SCHEMBL13901806 0.73 CNR1 (0.54) POLBMAPTALDH1A1LMNAPKM
SCHEMBL4088650 0.71 POLB (0.40) MEN1KMT2AHPGDPOLBMAPT
SCHEMBL4015076 0.71 POLB (0.46) MEN1KMT2AHPGDPOLBMAPT
SCHEMBL4010350 0.70 MAPT (0.49) KMT2AHPGDPOLBMAPTKDM4E
SCHEMBL4088676 0.70 POLB (0.41) MEN1KMT2AHPGDPOLBMAPT
SCHEMBL4083462 0.69 CA1 (0.43) MEN1KMT2APOLBMAPTKDM4E
SCHEMBL13901670 0.67 S1PR5 (0.46) HPGDPOLBNTRK1KDM4ENPSR1
SCHEMBL13901918 0.67 CA1 (0.42) KMT2AHPGDPOLBMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
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
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 MEN1 3233/4885KMT2A 3833/4885HPGD 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.