SCHEMBL5209799

SCHEMBL5209799

CCC(CC)(c1ccc(NC(=O)CCc2sc(-n3cnc4ccccc43)nc2-c2ccc(Cl)cc2)cc1)P(=O)(O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.38
MGLL Q99685 2/20 0.37
TNKS O95271 2/20 0.36
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35
THRB P10828 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL5211502 0.96 MAPT (0.39) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5214248 0.95 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5208773 0.94 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5214802 0.94 TNKS (0.37) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5213673 0.93 KMT2A (0.47) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5211877 0.86 LMNA (0.37) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5211604 0.85 LMNA (0.36) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5207013 0.85 MAPT (0.39) MAPTPOLBTNKSALDH1A1LMNA
SCHEMBL5209805 0.83 MGLL (0.40) MAPTMEN1KMT2ASMN1; SMN2POLB
SCHEMBL5212178 0.82 MAPT (0.59) MAPTMEN1KMT2ASMN1; SMN2POLB

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 3958/4885MEN1 1626/4885KMT2A 680/4885

“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.