SCHEMBL5209787

SCHEMBL5209787

CCOP(=O)(OCC)c1ccc(NC(=O)CCc2oc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
MAPT P10636 5/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMO Q99835 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CETP P11597 6/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41

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
SCHEMBL5215305 0.85 MAPT (0.61) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5208465 0.84 MAPT (0.49) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5214838 0.83 KDM4E (0.49) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5211762 0.83 MAPT (0.47) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5211339 0.83 MAPT (0.47) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5208383 0.83 SMO (0.43) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5214834 0.82 SMO (0.44) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL5211482 0.82 LTA4H (0.43) LTA4HEPHX2MAPTKDM4EMEN1
SCHEMBL5211344 0.82 MAPT (0.60) LTA4HEPHX2MAPTKDM4EMEN1
SCHEMBL5214683 0.82 MEN1 (0.46) MAPTKDM4EMEN1KMT2AALDH1A1

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 LTA4H 2682/4885EPHX2 1043/4885MAPT 3958/4885

“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.