SCHEMBL3780422

SCHEMBL3780422

COc1cc([N+](=O)[O-])c(NC(C)=O)cc1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.44
POLB P06746 2/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SCD O00767 2/20 0.42
CYP2C9 P11712 2/20 0.41
GPR52 Q9Y2T5 1/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
CYP2D6 P10635 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL3781829 0.81 HTR2A (0.41) ALDH1A1L3MBTL1GPR52LMNAMAPT
SCHEMBL2130393 0.81 CTSD (0.48) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL4347040 0.80 CYP1A2 (0.52) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL3766633 0.78 POLB (0.60) POLBL3MBTL1SCDLMNAHTT
SCHEMBL5951870 0.77 KMT2A (0.51) KMT2AMEN1ALDH1A1POLBHPGD
SCHEMBL5132080 0.76 CYP19A1 (0.49) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL29149364 0.75 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL7750660 0.75 MAPT (0.45) KMT2AMEN1ALDH1A1CYP1A2CYP2C19
SCHEMBL4850772 0.74 KMT2A (0.45) KMT2AALDH1A1CYP1A2POLBHPGD
SCHEMBL4850761 0.74 KMT2A (0.45) KMT2AALDH1A1CYP1A2POLBHPGD

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 3 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-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 KMT2A 48/4885MEN1 4474/4885ALDH1A1 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.