SCHEMBL3465442

SCHEMBL3465442

CC(C)NCCCn1c(Sc2nc(-c3ccccc3)cs2)nc(C(N)=O)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 3/20 0.40
HPGD P15428 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TP53 P04637 1/20 0.36
MCL1 Q07820 1/20 0.36
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MASP2 O00187 1/20 0.36
F2 P00734 1/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36
NOD2 Q9HC29 1/20 0.36

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
SCHEMBL3466454 0.80 RAB9A (0.37) RAB9ANPC1SMN1; SMN2TDP1HPGD
SCHEMBL13971466 0.79 MEN1 (0.35) TDP1HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL3464165 0.79 HSP90B1 (0.44) HSP90AA1HSP90AB1MEN1KMT2AHSP90B1
SCHEMBL3465264 0.77 HSP90AA1 (0.65) HSP90AA1HSP90AB1
SCHEMBL3465067 0.76 ALDH1A1 (0.38) HSP90AA1HSP90AB1MEN1KMT2AL3MBTL1
SCHEMBL3465261 0.71 HSP90AA1 (0.36) HSP90AA1HSP90AB1MEN1KMT2AHSP90B1
SCHEMBL3465260 0.69 HSP90AA1 (0.64) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL3464752 0.68 CYP1A2 (0.53) SMN1; SMN2HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL3464597 0.66 HSP90AA1 (0.60) HSP90AA1HSP90AB1
SCHEMBL24359607 0.64 HDAC1 (0.71) RAB9ANPC1MAPT

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
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
US-20100240656-A1 COMPOUNDS AS HSP90 INHIBITORS ORYZON GENOMICS, S.A. (ES) 2010-09-23 US disclosed
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 RAB9A 2213/4885NPC1 1275/4885SMN1; SMN2 3827/4885

“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.