SCHEMBL3464481

SCHEMBL3464481

CCCCn1c(SC2=COC(c3ccccc3I)O2)nc(C(N)=O)c1NC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
FPR1 P21462 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL3464860 0.90 HSP90AA1 (0.33)
SCHEMBL3465023 0.87 MEN1 (0.35) ALDH1A1HSD17B10MEN1HPGDKMT2A
SCHEMBL3465808 0.84
SCHEMBL3465522 0.81 HSP90AA1 (0.33) ALDH1A1HPGDLMNA
SCHEMBL3463969 0.78 MEN1 (0.34) MEN1KMT2A
SCHEMBL3464723 0.76
SCHEMBL3465726 0.75 ALDH1A1 (0.33) ALDH1A1HSD17B10MEN1HPGDKMT2A
SCHEMBL3464950 0.73 HSP90AA1 (0.53)
SCHEMBL3464479 0.72 HSP90AA1 (0.52)
SCHEMBL3465502 0.69 HSP90B1 (0.43)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US claimed
EP-2183221-A1 NEW COMPOUNDS AS HSP90 INHIBITORS Crystax Pharmaceuticals S.L. (ES) 2010-05-12 EP claimed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 WO claimed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
EP-2183221-A1 NEW COMPOUNDS AS HSP90 INHIBITORS Crystax Pharmaceuticals S.L. (ES) 2010-05-12 EP disclosed
WO-2009007399-A1 NEW COMPOUNDS AS HSP90 INHIBITORS CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-01-15 WO 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-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS HSP90AB1, HSP90AB2P, HSP90AA1 ALDH1A1 1875/4885HSD17B10 591/4885MEN1 4594/4885

“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.