SCHEMBL3774151

SCHEMBL3774151

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

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.48
GRIA2 P42262 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
GRM8 O00222 2/20 0.46
GRM6 O15303 2/20 0.46
GRM4 Q14833 2/20 0.46
PTPRA P18433 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
CYP2C19 P33261 1/20 0.43
HPD P32754 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6784817 0.90 ALDH1A1 (0.50) GRB2GRIA2ALDH1A1MAPTGRM8
SCHEMBL15540819 0.84 PPARG (0.47) GRIA2ALDH1A1MAPTMEN1KMT2A
SCHEMBL2143592 0.82 GRIA2 (0.50) GRIA2ALDH1A1MAPTGRM8GRM6
SCHEMBL21061874 0.80 GRIA2 (0.56) GRIA2ALDH1A1MAPTPTPRACYP2C19
SCHEMBL6762820 0.80 GRIA2 (0.50) GRIA2PTPRACYP2C19
SCHEMBL29500875 0.80 GRIA2 (0.56) GRIA2ALDH1A1MAPTPTPRACYP2C19
SCHEMBL29500840 0.79 CYP1A2 (0.51) ALDH1A1MAPTAKR1B1AKR1C4AKR1C3
Dl-Phenylalanine SCHEMBL28839982 0.78 GRB2 (0.51) GRB2ALDH1A1MAPTGRM8GRM6
SCHEMBL4596621 0.78 ALDH1A1 (0.44) ALDH1A1MAPTAKR1B1AKR1C4AKR1C3
SCHEMBL31016525 0.78 AKR1B1 (0.48) ALDH1A1MAPTAKR1B1AKR1C4AKR1C3

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
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-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 GRB2 4118/4885GRIA2 46/4885ALDH1A1 3989/4885

“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.