SCHEMBL5208952

SCHEMBL5208952

CCOP(=O)(CCc1ccc(NC(=O)CCCc2oc(-n3cnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1)OCC

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
TP53 P04637 4/20 0.37
RXFP1 Q9HBX9 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AURKA O14965 1/20 0.35
THRB P10828 2/20 0.35
MMP2 P08253 1/20 0.34
MMP13 P45452 1/20 0.34
NTRK1 P04629 3/20 0.34
NTRK2 Q16620 3/20 0.34
LTA4H P09960 1/20 0.34
EPHX2 P34913 1/20 0.34
TNIK Q9UKE5 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL5210929 0.94 MAPT (0.38) MAPTPOLBTP53RXFP1ALDH1A1
SCHEMBL5211723 0.90 LTA4H (0.41) MAPTPOLBTP53RXFP1AURKA
SCHEMBL5207019 0.90 MAPT (0.39) MAPTPOLBTP53RXFP1ALDH1A1
SCHEMBL5208453 0.88 THRB (0.37) MAPTPOLBTP53RXFP1ALDH1A1
SCHEMBL5207498 0.88 MAPT (0.37) MAPTPOLBALDH1A1SMN1; SMN2THRB
SCHEMBL5209817 0.88 MAPT (0.36) MAPTPOLBTP53RXFP1ALDH1A1
SCHEMBL5214935 0.85 SMN1; SMN2 (0.36) MAPTPOLBTP53ALDH1A1SMN1; SMN2
SCHEMBL5210308 0.85 POLB (0.35) MAPTPOLBTP53RXFP1ALDH1A1
SCHEMBL5211482 0.85 LTA4H (0.43) MAPTPOLBTP53RXFP1ALDH1A1
SCHEMBL5213361 0.84 THRB (0.38) MAPTPOLBTP53RXFP1ALDH1A1

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 3958/4885POLB 3507/4885TP53 4375/4885

“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.