SCHEMBL5209225

SCHEMBL5209225

Nc1nc(-c2ccc(Cl)cc2)c(CCC(=O)Nc2ccc(CP(=O)(O)O)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 1/20 0.46
ENPP2 Q13822 4/20 0.43
DGAT2 Q96PD7 1/20 0.43
CHRM1 P11229 1/20 0.41
HTR2A P28223 1/20 0.41
MCHR1 Q99705 1/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
FBP1 P09467 3/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MGLL Q99685 1/20 0.38
PTGDR2 Q9Y5Y4 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
SCHEMBL5207669 0.87 HTT (0.48) HTTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6625294 0.84 HTT (0.48) HTTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5207665 0.82 HTT (0.49) HTTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5212184 0.75 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2CASP3
SCHEMBL5209901 0.75 HTT (0.66) HTTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5207488 0.73 MAPT (0.40) HTTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5213993 0.73 KMT2A (0.69) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL1362464 0.73 HTT (0.64) HTTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL6608445 0.73 PLTP (0.47) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5212166 0.72 PTGDR2 (0.54) HTTMAPTMEN1KMT2ASMN1; SMN2

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 HTT 1097/4885MAPT 3958/4885MEN1 1626/4885

“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.