SCHEMBL3396139

SCHEMBL3396139

COc1cc(OC)c(Br)c(CCl)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.43
▸ CA4 P22748 4/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA6 P23280 3/20 0.43
▸ MAPT P10636 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ CASP6 P55212 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ GFER P55789 1/20 0.34
▸ NCOA2 Q15596 1/20 0.34
▸ NCOA1 Q15788 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ ALOX5 P09917 1/20 0.33
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL18781447 0.79 CA2 (0.44) CA2CA4CA1CA6MAPT
SCHEMBL23783296 0.77 ERN1 (0.40) CA2CA4CA1CA6MAPT
SCHEMBL1613447 0.77 TTR (0.44) CA2CA4CA1CA6MAPT
SCHEMBL3395789 0.71 CYP1A2 (0.43) CA2CA4CA1CA6ALDH1A1
SCHEMBL17694502 0.71 TTR (0.40) CA2CA4CA1CA6MAPT
SCHEMBL4951515 0.70 TTR (0.41) CA2CA4CA1MAPTNPSR1
SCHEMBL28018207 0.70 CA2 (0.53) CA2CA4CA1CA6MAPT
SCHEMBL18781448 0.70 MAPT (0.43) CA2CA4CA1CA6MAPT
SCHEMBL6006656 0.70 ALDH1A1 (0.46) CA2CA1ALDH1A1TTR
SCHEMBL23783240 0.70 TAAR1 (0.35) CA2CA4CA1CA6MAPT

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 4 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
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 — — US 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 CA2 4096/4885CA4 4607/4885CA1 4219/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 CA2 4096/4885CA4 4607/4885CA1 4219/4885

“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.

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