SCHEMBL5214802

SCHEMBL5214802

CCC(CC)(c1ccc(NC(=O)CCc2sc(-n3cnc4ccccc43)nc2-c2ccccc2)cc1)P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.37
GAA P10253 1/20 0.37
MGLL Q99685 1/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 2/20 0.35
POLB P06746 2/20 0.35
PIN1 Q13526 1/20 0.35
AURKA O14965 1/20 0.35
KDR P35968 1/20 0.35
AURKB Q96GD4 1/20 0.35
ADRA2B P18089 2/20 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
SCHEMBL5209799 0.94 MAPT (0.38) TNKSMGLLLMNASMN1; SMN2ALDH1A1
SCHEMBL5211502 0.90 MAPT (0.39) MGLLLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5214248 0.89 MAPT (0.38) TNKSMGLLLMNASMN1; SMN2ALDH1A1
SCHEMBL5208773 0.88 MAPT (0.38) MGLLLMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL5211877 0.88 LMNA (0.37) MGLLLMNASMN1; SMN2NPC1RAB9A
SCHEMBL5211604 0.88 LMNA (0.36) MGLLLMNASMN1; SMN2NPC1RAB9A
SCHEMBL5213673 0.86 KMT2A (0.47) GAAMGLLLMNASMN1; SMN2ALDH1A1
SCHEMBL5212555 0.84 TNKS (0.38) TNKSMGLLLMNASMN1; SMN2NPC1
SCHEMBL5214439 0.83 CA2 (0.39) GAAMGLLLMNASMN1; SMN2NPC1
SCHEMBL5214452 0.83 CA2 (0.39) GAAMGLLLMNASMN1; SMN2NPC1

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 TNKS 4684/4885GAA 4803/4885MGLL 4378/4885

“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.