SCHEMBL5215500

SCHEMBL5215500

CCOP(=O)(Cc1ccc(NC(=O)CCc2oc(-n3cnc4ccccc43)nc2-c2ccc(C(F)(F)F)cc2)cc1)OCC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MCHR1 Q99705 7/20 0.38
AURKA O14965 1/20 0.37
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR2E1 Q9Y466 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
GAA P10253 1/20 0.36
CETP P11597 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL5213986 0.92 MAPT (0.39) ALDH1A1LMNATP53MAPTNTRK1
SCHEMBL5212559 0.92 LTA4H (0.39) ALDH1A1LMNAAURKATP53MAPT
SCHEMBL5207019 0.91 MAPT (0.39) ALDH1A1LMNAAURKAKDRTP53
SCHEMBL5212135 0.90 THRB (0.43) ALDH1A1LMNAHPGDAURKATP53
SCHEMBL5211121 0.88 MAPT (0.38) TP53MAPTNTRK1NTRK2POLB
SCHEMBL5210929 0.87 MAPT (0.38) ALDH1A1AURKATP53MAPTSMN1; SMN2
SCHEMBL5212636 0.86 NTRK1 (0.39) LMNAKDRTP53MAPTNTRK1
SCHEMBL5211116 0.86 MAPT (0.38) ALDH1A1LMNAHPGDAURKAKDR
SCHEMBL5210803 0.85 AURKA (0.43) ALDH1A1LMNAHPGDAURKAKDR
SCHEMBL5213361 0.84 THRB (0.38) ALDH1A1KDRTP53MAPTSMN1; SMN2

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-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

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 ALDH1A1 1651/4885LMNA 4253/4885HPGD 958/4885

“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.