SCHEMBL2429436

SCHEMBL2429436

COc1cccc(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)NCc3ccccc3)cn2)c1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 14/20 1.00
HSP90AB1 P08238 14/20 1.00
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2429433 1.00 HSP90AA1 (1.00) HSP90AA1HSP90AB1KDM4EALDH1A1MAPK1
SCHEMBL2430152 0.94 HSP90AA1 (0.89) HSP90AA1HSP90AB1
SCHEMBL2430156 0.94 HSP90AA1 (0.89) HSP90AA1HSP90AB1
SCHEMBL2425424 0.94 HSP90AA1 (0.88) HSP90AA1HSP90AB1
SCHEMBL2430797 0.94 HSP90AA1 (0.88) HSP90AA1HSP90AB1
SCHEMBL2430799 0.94 HSP90AA1 (0.88) HSP90AA1HSP90AB1
SCHEMBL2425426 0.94 HSP90AA1 (0.88) HSP90AA1HSP90AB1
SCHEMBL2429927 0.93 HSP90AA1 (0.87) HSP90AA1HSP90AB1
SCHEMBL2428160 0.93 HSP90AA1 (0.87) HSP90AA1HSP90AB1
SCHEMBL2424927 0.93 HSP90AA1 (0.87) HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US claimed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP claimed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US claimed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 HSP90AA1 1888/4885HSP90AB1 1352/4885KDM4E 4402/4885

“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.