SCHEMBL3781263

SCHEMBL3781263

Cc1cc(Cl)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.60
ALDH1A1 P00352 5/20 0.60
TDP1 Q9NUW8 3/20 0.54
GRIN2D O15399 3/20 0.47
GRIN3B O60391 3/20 0.47
GRIN1 Q05586 3/20 0.47
GRIN2A Q12879 3/20 0.47
GRIN2B Q13224 3/20 0.47
GRIN2C Q14957 3/20 0.47
GRIN3A Q8TCU5 3/20 0.47
MAPK1 P28482 1/20 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
SCHEMBL12661870 0.89 TSHR (0.72) TSHRALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL29712918 0.89 TSHR (0.72) TSHRALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL3773436 0.81 ALDH1A1 (0.46) TSHRALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL40266 0.81 PKM (0.46) TSHRALDH1A1GRIN2DGRIN3BGRIN1
SCHEMBL27820433 0.81 ALDH1A1 (0.46) TSHRALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL28979865 0.81 ALDH1A1 (0.46) TSHRALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL1820951 0.80 ALDH1A1 (0.58) TSHRALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL8440730 0.78 TSHR (0.58) TSHRALDH1A1TDP1MAPK1
SCHEMBL28420852 0.77 ALDH1A1 (0.54) TSHRALDH1A1TDP1GRIN2DGRIN3B
SCHEMBL30073838 0.77 KMT2A (0.42) TSHRALDH1A1

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 10 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
US-5382693-A Curing agents for epoxy resins THE DOW CHEMICAL COMPANY (US) 1995-01-17 US disclosed
WO-1994026690-A1 BIS(AMINOPHENOXY)-ALPHA-SUBSTITUTED STILBENES, CURABLE MIXTURES WITH EPOXY RESINS AND CURED PRODUCTS THE DOW CHEMICAL COMPANY (US) 1994-11-24 WO disclosed
US-5300594-A Bis(aminophenoxy)-alpha-substituted stilbenes, curable mixtures with epoxy resins and cured products THE DOW CHEMICAL COMPANY (US) 1994-04-05 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 (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 TSHR 742/4885ALDH1A1 3989/4885TDP1 738/4885

“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.