SCHEMBL5209112

SCHEMBL5209112

CCCSc1nc(-c2ccc(Cl)cc2)c(CCC(=O)N2CCC(O)CC2)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL5208176 0.87 POLB (0.42) POLBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5210427 0.85 TACR1 (0.46) POLBMAPTSMN1; SMN2LMNATP53
SCHEMBL5208646 0.85 POLB (0.45) POLBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5215135 0.83 POLB (0.44) POLBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5212167 0.83 POLB (0.38) POLBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5207648 0.83 SMN1; SMN2 (0.38) POLBMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5210134 0.81 RXRA (0.47) MAPTSMN1; SMN2HPGDTP53HTT
SCHEMBL5209417 0.78 TP53 (0.41) POLBMAPTKMT2AMEN1CYP1A2
SCHEMBL5206601 0.77 POLB (0.39) POLBL3MBTL1MAPTSMN1; SMN2KMT2A
SCHEMBL5211325 0.77 MEN1 (0.42) POLBMAPTSMN1; SMN2KMT2AMEN1

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 POLB 3507/4885L3MBTL1 3447/4885MAPT 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.