SCHEMBL5212795

SCHEMBL5212795

CCC(CC)(c1ccc(NC(=O)CCc2oc(-n3ncc4ccccc43)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.35
MAPT P10636 4/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.34
TNKS O95271 1/20 0.34
SPR P35270 1/20 0.34
THRB P10828 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
CETP P11597 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL5212052 0.88 NPSR1 (0.38) CNR2MAPTPOLBMEN1KMT2A
SCHEMBL5207013 0.85 MAPT (0.39) CNR2MAPTPOLBNPC1RAB9A
SCHEMBL5207374 0.84 LMNA (0.46) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL5212800 0.83 MAPT (0.37) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL5207015 0.82 MAPT (0.41) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL5213773 0.82 PIK3CA (0.41) MAPTMEN1KMT2AMAPK1
SCHEMBL5208383 0.82 SMO (0.43) MAPTPOLBMEN1KMT2ANPC1
SCHEMBL5212143 0.82 CD38 (0.37) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL5211936 0.82 MAPT (0.42) MAPTPOLBMEN1KMT2ALMNA
SCHEMBL5214453 0.82 CNR2 (0.38) CNR2MAPTPOLBTHRBRXFP1

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 CNR2 26/4885MAPT 3958/4885POLB 3507/4885

“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.