SCHEMBL5214935

SCHEMBL5214935

CCOP(=O)(Cc1ccccc1NC(=O)CCCc1oc(-n2cnc3ccccc32)nc1-c1ccc(Cl)cc1)OCC

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 3/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC2 Q92769 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TP53 P04637 3/20 0.33
LMNA P02545 1/20 0.33
AURKA O14965 1/20 0.33
G6PD P11413 1/20 0.33
TSPO P30536 1/20 0.32
MAPT P10636 1/20 0.32
KDR P35968 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CNR2 P34972 1/20 0.32
FLT3 P36888 1/20 0.32

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 0.89 MAPT (0.38) SMN1; SMN2POLBALDH1A1TP53AURKA
SCHEMBL5210308 0.89 POLB (0.35) SMN1; SMN2POLBHDAC1ALDH1A1TP53
SCHEMBL5207498 0.87 MAPT (0.37) SMN1; SMN2POLBALDH1A1LMNAMAPT
SCHEMBL5208952 0.85 MAPT (0.37) SMN1; SMN2POLBALDH1A1TP53AURKA
SCHEMBL5207019 0.84 MAPT (0.39) SMN1; SMN2POLBALDH1A1TP53LMNA
SCHEMBL5211723 0.84 LTA4H (0.41) POLBTP53LMNAAURKAMAPT
SCHEMBL5209817 0.83 MAPT (0.36) SMN1; SMN2POLBALDH1A1TP53AURKA
SCHEMBL5210939 0.82 KMT2A (0.34) SMN1; SMN2POLBHDAC1HDAC2ALDH1A1
SCHEMBL5208460 0.82 KMT2A (0.35) SMN1; SMN2POLBHDAC1HDAC2ALDH1A1
SCHEMBL5209280 0.82 NPC1 (0.41) SMN1; SMN2POLBHDAC1HDAC2ALDH1A1

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 SMN1; SMN2 584/4885POLB 3507/4885HDAC1 560/4885

“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.