SCHEMBL2431005

SCHEMBL2431005

CCCNc1cc(C(=O)O)c(C)cc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 8/20 0.49
KDM6B O15054 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
HCAR3 P49019 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK14 Q16539 1/20 0.38
PLK1 P53350 1/20 0.38

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
SCHEMBL2426202 0.90 CISD1 (0.52) CISD1KDM6BKDM4CHCAR3PLK1
SCHEMBL2431511 0.84 CISD1 (0.51) CISD1KDM6BKDM4CHCAR3KDM4E
SCHEMBL2434508 0.83 CISD1 (0.34) CISD1HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL3980322 0.82 HSP90AA1 (0.40) CISD1KDM4CHSP90AA1HSP90AB1
SCHEMBL3973224 0.81 CISD1 (0.36) CISD1KDM6BKDM4CHSP90AA1HSP90AB1
SCHEMBL3980350 0.81 HSP90AA1 (0.35) CISD1HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL4010874 0.81 GUCY1A1 (0.40) CISD1KDM6BKDM4CHSP90AA1HSP90AB1
SCHEMBL2428070 0.81 MEN1 (0.47) CISD1KDM6BKDM4CHCAR3MAPK14
SCHEMBL2422460 0.81 JAK2 (0.40) CISD1HSP90AA1HSP90AB1
SCHEMBL3973544 0.80 HSP90AA1 (0.39) CISD1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 CISD1 4213/4885KDM6B 2369/4885KDM4C 3742/4885

“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.