SCHEMBL366394

SCHEMBL366394

COc1ncc(CO)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
PDE5A O76074 2/20 0.42
KCNJ5 P48544 2/20 0.39
KCNJ3 P48549 2/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C9 P11712 1/20 0.38
APEX1 P27695 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK2 P24941 1/20 0.38
GSK3B P49841 1/20 0.38
MAPK1 P28482 1/20 0.37
GPR52 Q9Y2T5 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 1/20 0.36
RECQL P46063 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL17069359 0.84 RORC (0.42) NPC1RAB9APOLBPDE5ALMNA
SCHEMBL19584225 0.83 LMNA (0.39) NPC1RAB9APOLBPDE5ALMNA
SCHEMBL10332075 0.83 SMN1; SMN2 (0.39) POLBPDE5ALMNATSHRCYP2C9
SCHEMBL3396077 0.81 LMNA (0.38) PDE5AKCNJ5KCNJ3LMNATSHR
SCHEMBL16816819 0.81 LOX (0.41) PDE5ALMNATSHRCYP2C9APEX1
SCHEMBL21909730 0.81 LMNA (0.38) NPC1RAB9APOLBPDE5ALMNA
SCHEMBL10088548 0.81 S1PR1 (0.42) NPC1RAB9APOLBRORC
SCHEMBL6607796 0.79 NPC1 (0.38) NPC1RAB9APOLBTSHRPIK3R1
SCHEMBL19330511 0.79 NPC1 (0.48) NPC1RAB9APOLBLMNATSHR
SCHEMBL30912267 0.79 NPC1 (0.38) NPC1RAB9APOLBTSHRPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9102621-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-11 US disclosed
EP-2593431-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
EP-2593431-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2013-05-22 EP disclosed
US-20130109708-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
WO-2012007869-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
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 (3 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-20130109708-A1 Chemical Compounds SCN1A, SCN1B, SCN7A NPC1 1546/4885RAB9A 1215/4885POLB 4118/4885
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 NPC1 3230/4885RAB9A 2285/4885POLB 890/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 NPC1 3230/4885RAB9A 2285/4885POLB 890/4885

“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.