SCHEMBL5211745

SCHEMBL5211745

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
POLB P06746 2/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TNKS O95271 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADRB2 P07550 1/20 0.39
HPGD P15428 1/20 0.39
CNR2 P34972 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CNR1 P21554 2/20 0.38
THRB P10828 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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 0.93 TNKS (0.42) MAPTPOLBTNKSKDM4EALDH1A1
SCHEMBL5210803 0.92 AURKA (0.43) MAPTSMN1; SMN2TP53TRPV1TNKS
SCHEMBL5215192 0.91 PIN1 (0.43) MAPTPOLBTNKSCNR1
SCHEMBL5207954 0.89 RAB9A (0.42) MAPTTP53POLBTNKSALDH1A1
SCHEMBL5208205 0.89 TP53 (0.42) MAPTSMN1; SMN2TP53POLBTNKS
SCHEMBL5213091 0.89 ENPP2 (0.42) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL5211475 0.89 MAPT (0.41) MAPTSMN1; SMN2POLBTNKSKDM4E
SCHEMBL5212224 0.89 MAPT (0.43) MAPTSMN1; SMN2POLBTDP1TNKS
SCHEMBL5212587 0.89 THRB (0.50) MAPTSMN1; SMN2TP53ALDH1A1HPGD
SCHEMBL5207013 0.89 MAPT (0.39) MAPTTP53POLBTDP1TNKS

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 MAPT 3958/4885SMN1; SMN2 584/4885TP53 4375/4885

“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.