SCHEMBL3391710

SCHEMBL3391710

Cc1cc(C)[n+]([O-])c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
NPSR1 Q6W5P4 5/20 0.59
KDM4E B2RXH2 4/20 0.59
HTT P42858 3/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
S1PR4 O95977 1/20 0.59
S1PR1 P21453 1/20 0.59
BRD4 O60885 1/20 0.46
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
PRKCA P17252 10/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 4/20 0.39
GMNN O75496 4/20 0.39
LMNA P02545 4/20 0.39
POLB P06746 4/20 0.39
APEX1 P27695 4/20 0.39
RECQL P46063 4/20 0.39
BLM P54132 4/20 0.39

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
SCHEMBL10901434 0.80 MAPT (0.56) MAPTNPSR1KDM4EHTTNPC1
SCHEMBL6093473 0.80 MAPT (0.56) MAPTNPSR1KDM4EHTTNPC1
SCHEMBL10999954 0.77 MAPT (0.53) MAPTNPSR1KDM4EHTTNPC1
SCHEMBL7761625 0.77 MAPT (0.53) MAPTNPSR1KDM4EHTTNPC1
SCHEMBL20180489 0.77 ACHE (0.48) MAPTNPSR1KDM4EHTTNPC1
SCHEMBL18535214 0.75 MAPT (0.39) MAPTNPSR1KDM4EHTTNPC1
SCHEMBL31237966 0.74 MAPT (1.00) MAPTNPSR1KDM4EHTTNPC1
SCHEMBL5157864 0.74 MAPT (1.00) MAPTNPSR1KDM4EHTTNPC1
SCHEMBL3975761 0.73 MAPT (0.46) MAPTNPSR1KDM4EHTTNPC1
SCHEMBL16261594 0.73 MAPT (0.47) MAPTNPSR1KDM4EHTTNPC1

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
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-7138401-B2 2-aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION (US) 2006-11-21 US disclosed
EP-1670802-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS Conforma Therapeutic Corporation (US) 2006-06-21 EP disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 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 (2 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-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 MAPT 2030/4885NPSR1 4595/4885KDM4E 3577/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 MAPT 2030/4885NPSR1 4595/4885KDM4E 3577/4885

“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.