SCHEMBL2142985

SCHEMBL2142985

COC(=O)c1c([N+](=O)[O-])ccc(C2CC2)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ABCC4 O15439 2/20 0.42
▸ CACNA1F O60840 2/20 0.42
▸ ABCB11 O95342 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ SCN1A P35498 2/20 0.42
▸ HTR2B P41595 2/20 0.42
▸ CACNA1D Q01668 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ CACNA1S Q13698 2/20 0.42
▸ CACNA1C Q13936 2/20 0.42
▸ SCN5A Q14524 2/20 0.42

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
SCHEMBL16862932 0.87 MAPT (0.45) MAPTHPGDTDP1KMT2AABCC4
SCHEMBL31284260 0.80 PDE4B (0.41) MAPTLMNAALDH1A1SCN9A
SCHEMBL30395006 0.80 SMN1; SMN2 (0.42) MAPTHPGDTDP1KMT2AABCC4
SCHEMBL31284466 0.78 SIRT6 (0.42) MAPTTDP1KMT2ALMNASMN1; SMN2
SCHEMBL31284435 0.77 SMN1; SMN2 (0.41) MAPTHPGDTDP1KMT2AABCC4
SCHEMBL31285049 0.77 SMN1; SMN2 (0.41) MAPTHPGDTDP1KMT2AABCC4
SCHEMBL22689342 0.76 HPGD (0.47) MAPTHPGDTDP1KMT2ALMNA
SCHEMBL11965650 0.75 HPGD (0.58) MAPTHPGDKMT2ALMNASMN1; SMN2
SCHEMBL29858779 0.74 LMNA (0.44) MAPTHPGDTDP1KMT2AABCC4
SCHEMBL11398188 0.74 TDP1 (0.56) MAPTHPGDTDP1KMT2AABCC4

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 7 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
CN-102482221-B bicyclic and tricyclic compounds as KATII inhibitors PFIZER INC. (US) 2014-10-22 — — CN disclosed
CN-102482221-A Bicyclic and tricyclic compounds as KATII inhibitors PFIZER 2012-05-30 — — CN disclosed
US-8183238-B2 Bicyclic and tricyclic compounds as KAT II inhibitors PFIZER INC. (US) 2012-05-22 — — US disclosed
EP-2443092-A1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS Pfizer Inc. (US) 2012-04-25 — — EP disclosed
US-20100324043-A1 Bicyclic And Tricyclic Compounds As KAT II Inhibitors PFIZER INC 2010-12-23 — — US disclosed
WO-2010146488-A1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER INC. (US) 2010-12-23 — — 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 MAPT 258/4885HPGD 4063/4885TDP1 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.

Send feedback