Sugi Predict

Sugi Predict / Compounds / SCHEMBL3775975

SCHEMBL3775975

SCHEMBL3775975

CCOC(=O)C(Cc1cccnc1[N+](=O)[O-])N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 4/20 0.39
▸ HTT P42858 4/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ MITF O75030 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ AAK1 Q2M2I8 1/20 0.37
▸ TBXAS1 P24557 2/20 0.36
▸ MEN1 O00255 2/20 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
SCHEMBL18175 0.83 SLC13A5 (0.42) NPC1HTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL18176 0.83 SLC13A5 (0.42) NPC1HTTALDH1A1KMT2ASMN1; SMN2
SCHEMBL9103471 0.78 KMT2A (0.41) NPC1MAPTMAPK1ALDH1A1KMT2A
SCHEMBL9103467 0.78 KMT2A (0.41) NPC1MAPTMAPK1ALDH1A1KMT2A
SCHEMBL2141753 0.78 EPHX2 (0.42) NPC1ALDH1A1KMT2APOLBAAK1
SCHEMBL8423235 0.77 MAPT (0.41) NPC1MAPTHTTALDH1A1KMT2A
SCHEMBL8421394 0.77 MAPT (0.41) NPC1MAPTHTTALDH1A1KMT2A
SCHEMBL27559407 0.77 MEN1 (0.43) NPC1MAPTALDH1A1KMT2APOLB
SCHEMBL30831610 0.76 MEN1 (0.43) NPC1MAPTHTTALDH1A1KMT2A
SCHEMBL26995207 0.76 MEN1 (0.43) NPC1MAPTHTTALDH1A1KMT2A

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 9 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
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

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 NPC1 740/4885RAB9A 904/4885MAPT 258/4885

“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.