SCHEMBL5215764

SCHEMBL5215764

COc1ccc(CCN(C)C(=O)CCc2oc(-n3cnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 1/20 0.48
CDK8 P49336 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PLK1 P53350 1/20 0.38
TP53 P04637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL5211765 0.83 ALDH1A1 (0.42) NPC1RAB9AALDH1A1KMT2AKDM4E
SCHEMBL5207866 0.83 GABRA1 (0.35) ALDH1A1KMT2AKDM4E
SCHEMBL5214089 0.80 KMT2A (0.49) ALDH1A1LMNAKMT2AMEN1TP53
SCHEMBL14609752 0.80 TSPO (0.37) ALDH1A1KMT2AMEN1KDM4EATM
SCHEMBL5211701 0.78 MKNK1 (0.42) ALDH1A1KMT2AMEN1PLK1
SCHEMBL5213712 0.78 POLB (0.46) L3MBTL1TDP1ALDH1A1LMNATP53
SCHEMBL5211271 0.78 TP53 (0.46) ALDH1A1KMT2AMEN1TP53THRB
SCHEMBL5213384 0.77 RXRA (0.47) ALDH1A1KMT2APLK1KDM4E
SCHEMBL1361176 0.77 RAB9A (0.40) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL5212376 0.77 LMNA (0.45) L3MBTL1RAB9AALDH1A1LMNAKMT2A

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 NPC1 3792/4885L3MBTL1 3447/4885RAB9A 4611/4885

“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.