SCHEMBL3772645

SCHEMBL3772645

O=[N+]([O-])c1ccc(Sc2ccccc2)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 6/20 0.49
PDE7B Q9NP56 3/20 0.49
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
MAPT P10636 4/20 0.44
USP47 Q96K76 1/20 0.43
CYP19A1 P11511 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DTYMK P23919 1/20 0.41
CTSB P07858 1/20 0.41
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL6351555 0.85 PDE7A (0.48) PDE7APDE7BMAPTCYP19A1MEN1
SCHEMBL8154099 0.84 MAPT (0.39) PDE7APDE7BGSTP1GSTM2MAPT
SCHEMBL6565670 0.80 HSD17B10 (0.52) PDE7APDE7BGSTP1GSTM2MAPT
SCHEMBL10786431 0.80 PDE7A (0.74) PDE7APDE7BGSTP1GSTM2MAPT
SCHEMBL2419394 0.80 PDE7A (0.56) PDE7APDE7BGSTP1GSTM2MAPT
SCHEMBL13401628 0.80 GPR35 (0.51) PDE7APDE7BGSTP1GSTM2MAPT
SCHEMBL19048971 0.78 PDE7A (0.71) PDE7APDE7BGSTP1GSTM2MAPT
Diphenylsulfane SCHEMBL27370215 0.78 PDE7A (0.56) PDE7APDE7BGSTP1GSTM2MAPT
SCHEMBL20476508 0.77 CYP19A1 (0.43) PDE7APDE7BMAPTCYP19A1MEN1
SCHEMBL20727298 0.77 MAPK1 (0.51) PDE7APDE7BGSTP1GSTM2MAPT

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
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 US disclosed
EP-1059927-B1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-6369273-B1 ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE ASTRAZENECA AB (SE) 2002-04-09 US disclosed
EP-1059927-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2000-12-20 EP disclosed
WO-1999044618-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-09-10 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-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors KAT2A, KAT2B, KAT6B PDE7A 4519/4885PDE7B 3900/4885GSTP1 2964/4885

“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.