SCHEMBL3766451

SCHEMBL3766451

COc1cc([N+](=O)[O-])c(Br)cc1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
CTSD P07339 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ABCB1 P08183 2/20 0.42
ABCC1 P33527 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
PRKDC P78527 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
GPR55 Q9Y2T6 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
SCHEMBL3775201 0.84 ALDH1A1 (0.46) ALDH1A1TDP1LMNAHTTCTSD
SCHEMBL15949974 0.80 MEN1 (0.53) ALDH1A1TDP1LMNANPC1RAB9A
SCHEMBL6361032 0.80 MEN1 (0.53) ALDH1A1TDP1LMNANPC1RAB9A
SCHEMBL7652993 0.79 HTR2A (0.55) MAPTGPR55
SCHEMBL1663728 0.79 LMNA (0.49) ALDH1A1TDP1LMNAHTTCTSD
SCHEMBL7636001 0.79 POLB (0.53) LMNAGPR55
SCHEMBL15533244 0.76 HTR2A (0.62)
SCHEMBL228990 0.76 ALDH1A1 (0.58) ALDH1A1TDP1LMNAHTTNPC1
SCHEMBL15540748 0.76 HTR2A (0.45) GPR55
SCHEMBL27856352 0.74 ALDH1A1 (0.56) ALDH1A1TDP1LMNAHTTNPC1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175603-A1 TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-06-25 US disclosed
EP-2861593-A1 TRICYCLIC COMPOUNDS AS KAT II INHIBITORS Pfizer Inc. (US) 2015-04-22 EP disclosed
EP-2443092-B1 BICYCLIC AND TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER (US) 2015-04-08 EP disclosed
WO-2013186666-A1 TRICYCLIC COMPOUNDS AS KAT II INHIBITORS PFIZER INC. (US) 2013-12-19 WO 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 (2 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 3989/4885TDP1 738/4885LMNA 4123/4885
US-20150175603-A1 TRICYCLIC COMPOUNDS AS KAT II INHIBITORS KAT2A, KAT2B, KAT7 ALDH1A1 2905/4885TDP1 254/4885LMNA 4441/4885

“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.