SCHEMBL5213161

SCHEMBL5213161

NC(=O)CP(=O)(CC(N)=O)Cc1ccc(NC(=O)CCc2oc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KDM4E B2RXH2 5/20 0.49
NPSR1 Q6W5P4 2/20 0.49
SMO Q99835 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 1/20 0.41
CETP P11597 6/20 0.40
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
ADRB2 P07550 1/20 0.40
TP53 P04637 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL5214838 0.85 KDM4E (0.49) MAPTKDM4ENPSR1SMOMEN1
SCHEMBL5214683 0.84 MEN1 (0.46) MAPTKDM4ENPSR1SMOMEN1
SCHEMBL5211762 0.82 MAPT (0.47) MAPTKDM4ENPSR1SMOMEN1
SCHEMBL5210861 0.81 MAPT (0.50) MAPTKDM4ENPSR1SMOMEN1
SCHEMBL5209787 0.81 LTA4H (0.50) MAPTKDM4ENPSR1SMOMEN1
SCHEMBL5214834 0.81 SMO (0.44) MAPTKDM4ENPSR1SMOMEN1
SCHEMBL5209675 0.81 KDM4E (0.48) MAPTKDM4ENPSR1SMOMEN1
SCHEMBL5211339 0.80 MAPT (0.47) MAPTKDM4ENPSR1SMOMEN1
SCHEMBL5208383 0.80 SMO (0.43) MAPTKDM4ENPSR1SMOMEN1
SCHEMBL5208286 0.79 MCHR1 (0.63) MAPTKDM4ENPSR1KMT2AALDH1A1

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
US-7183276-B2 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed
US-20050090534-A1 Azole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-28 US disclosed
EP-1486490-A1 AZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-12-15 EP 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-20050090534-A1 Azole compounds AHR, NR0B2, NR2C2 MAPT 3958/4885KDM4E 2428/4885NPSR1 1548/4885

“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.