SCHEMBL3768538

SCHEMBL3768538

CCOC(=O)C(Cc1cc(F)ccc1[N+](=O)[O-])(NC(C)=O)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
RECQL P46063 1/20 0.51
MAPK1 P28482 1/20 0.48
MAPT P10636 4/20 0.46
PKM P14618 2/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 3/20 0.43
THRB P10828 2/20 0.43
HTT P42858 1/20 0.42
FBP1 P09467 1/20 0.42
KMT2A Q03164 3/20 0.41
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL25331477 0.86 ALDH1A1 (0.51) ALDH1A1RECQLMAPK1MAPTPKM
SCHEMBL2143632 0.84 ALDH1A1 (0.44) ALDH1A1MAPK1MAPTKDM4EHTT
SCHEMBL4063597 0.83 ALDH1A1 (0.62) ALDH1A1RECQLMAPK1MAPTPKM
SCHEMBL7422196 0.81 ALDH1A1 (0.58) ALDH1A1RECQLMAPK1MAPTPKM
SCHEMBL9119274 0.81 ALDH1A1 (0.52) ALDH1A1RECQLMAPK1MAPTPKM
SCHEMBL3771863 0.80 ALDH1A1 (0.51) ALDH1A1RECQLMAPK1MAPTPKM
SCHEMBL22204298 0.80 ALDH1A1 (0.51) ALDH1A1RECQLMAPK1MAPTPKM
SCHEMBL2324817 0.80 ALDH1A1 (0.57) ALDH1A1RECQLMAPK1MAPTPKM
SCHEMBL10278608 0.79 ALDH1A1 (0.56) ALDH1A1RECQLMAPK1MAPTPKM
SCHEMBL16970663 0.78 ALDH1A1 (0.52) ALDH1A1RECQLMAPK1MAPTPKM

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 5 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-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 ALDH1A1 3989/4885RECQL 1552/4885MAPK1 1296/4885

“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.