SCHEMBL5207954

SCHEMBL5207954

CC(C)c1ccc(NC(=O)CCc2oc(-n3cnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
TNKS O95271 2/20 0.40
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 2/20 0.39
ALDH1A1 P00352 1/20 0.39
BRD4 O60885 1/20 0.39
PTPN11 Q06124 1/20 0.38
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 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
SCHEMBL5211421 0.94 TNKS (0.42) TNKSMEN1KMT2AMAPTPOLB
SCHEMBL5215192 0.92 PIN1 (0.43) TNKSMAPTPOLB
SCHEMBL5208205 0.90 TP53 (0.42) TNKSMEN1KMT2AMAPTTP53
SCHEMBL5212587 0.89 THRB (0.50) MEN1KMT2AMAPTTP53GAA
SCHEMBL5212224 0.89 MAPT (0.43) RAB9ATNKSMEN1NPC1KMT2A
SCHEMBL5211745 0.89 MAPT (0.41) RAB9ATNKSNPC1MAPTTP53
SCHEMBL5211475 0.89 MAPT (0.41) RAB9ATNKSMEN1KMT2AMAPT
SCHEMBL5208057 0.89 FGFR1 (0.46) RAB9AMEN1NPC1KMT2AMAPT
SCHEMBL5211576 0.88 TNKS (0.39) TNKSMEN1KMT2AMAPTTP53
SCHEMBL5210803 0.88 AURKA (0.43) TNKSMAPTTP53ALDH1A1

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 RAB9A 4611/4885TNKS 4684/4885LDHA 2899/4885

“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.