SCHEMBL5208944

SCHEMBL5208944

CCOP(=O)(Cc1ccc(NC(=O)CCc2oc(-c3ccc4c(c3)OCO4)nc2-c2ccc(Cl)cc2)cc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
CACNA1G O43497 1/20 0.42
CFTR P13569 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 3/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 1/20 0.40
CNR1 P21554 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
TP53 P04637 2/20 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
SCHEMBL5215008 0.88 MAPT (0.41) MEN1KMT2AMAPTLMNAGLA
SCHEMBL5213177 0.87 MAPT (0.40) MEN1KMT2AMAPTLMNAGLA
SCHEMBL5207604 0.86 TP53 (0.47) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5207445 0.85 MEN1 (0.49) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5207021 0.85 MAPT (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL5211940 0.84 MAPT (0.45) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL5208936 0.83 MAPT (0.40) HDAC1HDAC2CACNA1GALDH1A1TSHR
SCHEMBL5207465 0.82 MAPT (0.44) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL5211339 0.82 MAPT (0.47) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL5210833 0.81 MAPT (0.46) HDAC1ALDH1A1MEN1KMT2AMAPT

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 HDAC1 560/4885HDAC2 522/4885CACNA1G 3220/4885

“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.