SCHEMBL3766430

SCHEMBL3766430

O=[N+]([O-])c1c(CBr)cccc1CN1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 6/20 0.50
CTSB P07858 1/20 0.50
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
KCNJ1 P48048 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 2/20 0.44
MCL1 Q07820 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CXCR4 P61073 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL28795437 0.89 CTSB (0.48) CYP2A13CTSBALDH1A1SMN1; SMN2MAPT
SCHEMBL3774742 0.86 CTSB (0.53) CYP2A13CTSBALDH1A1SMN1; SMN2MAPT
SCHEMBL28795439 0.84 CTSB (0.46) CYP2A13CTSBALDH1A1SMN1; SMN2MAPT
SCHEMBL28814466 0.83 CTSB (0.50) CYP2A13CTSBALDH1A1SMN1; SMN2MAPT
SCHEMBL9060482 0.83 CYP2A13 (0.61) CYP2A13CTSBALDH1A1SMN1; SMN2MAPT
SCHEMBL27873042 0.79 CTSB (0.46) CYP2A13CTSBALDH1A1SMN1; SMN2MAPT
SCHEMBL2130743 0.79 CTSB (0.46) CYP2A13CTSBALDH1A1SMN1; SMN2MAPT
SCHEMBL2027979 0.78 ALDH1A1 (0.46) ALDH1A1LMNA
SCHEMBL9008678 0.77 ACHE (0.65) CYP2A13CTSBALDH1A1SMN1; SMN2MAPT
SCHEMBL2141932 0.76 HCRTR1 (0.52) CYP2A13CTSBALDH1A1SMN1; SMN2MAPT

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 7 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-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 CYP2A13 3045/4885CTSB 162/4885ALDH1A1 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.