SCHEMBL5210972

SCHEMBL5210972

CCC(CC)(c1ccc(NC(=O)CCc2oc(Sc3ccccn3)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
RAB9A P51151 9/20 0.38
NPC1 O15118 7/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ADRB2 P07550 1/20 0.35
CETP P11597 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL5212518 0.92 MAPT (0.39) TP53RAB9ANPC1SMN1; SMN2HSP90AA1
SCHEMBL5207015 0.83 MAPT (0.41) TP53SMN1; SMN2HSP90AA1HTTMEN1
SCHEMBL5210981 0.83 RAB9A (0.41) TP53RAB9ANPC1SMN1; SMN2HSP90AA1
SCHEMBL5208383 0.83 SMO (0.43) TP53RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5211936 0.82 MAPT (0.42) TP53SMN1; SMN2MEN1KMT2ATRPV1
SCHEMBL5207462 0.81 MAPT (0.41) TP53SMN1; SMN2MEN1KMT2ACETP
SCHEMBL5208774 0.81 MAPT (0.39) TP53RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL6159244 0.80 HDAC1 (0.38) TP53SMN1; SMN2MEN1KMT2ACETP
SCHEMBL5213172 0.80 CETP (0.40) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL5214145 0.79 CETP (0.37) RAB9ASMN1; SMN2HTTALDH1A1MEN1

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 TP53 4375/4885RAB9A 4611/4885NPC1 3792/4885

“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.