SCHEMBL4626134

SCHEMBL4626134

[c]1ccc(N2CCC(c3ccccc3)=N2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.77
KDM4E B2RXH2 6/20 0.77
GLA P06280 4/20 0.77
MAPK1 P28482 3/20 0.77
TDP1 Q9NUW8 3/20 0.77
NPC1 O15118 2/20 0.77
RAB9A P51151 2/20 0.77
L3MBTL1 Q9Y468 2/20 0.77
MAOB P27338 2/20 0.62
KMT2A Q03164 7/20 0.51
ALDH1A1 P00352 7/20 0.51
MEN1 O00255 5/20 0.51
ATM Q13315 3/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
THRB P10828 1/20 0.41
LMNA P02545 3/20 0.36
GAA P10253 3/20 0.36
S1PR2 O95136 2/20 0.36

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
SCHEMBL157594 0.88 MAPT (1.00) MAPTKDM4EGLAMAPK1TDP1
SCHEMBL9359536 0.80 MAPT (0.77) MAPTKDM4EGLAMAPK1TDP1
SCHEMBL9356094 0.80 MAOB (0.88) MAPTKDM4EGLAMAPK1TDP1
SCHEMBL12716578 0.77 MAPT (0.77) MAPTKDM4EGLAMAPK1TDP1
SCHEMBL11211211 0.77 KDM4E (0.77) MAPTKDM4EGLAMAPK1TDP1
SCHEMBL9359517 0.76 MAPT (0.71) MAPTKDM4EGLAMAPK1TDP1
SCHEMBL9360138 0.76 MAPT (0.71) MAPTKDM4EGLAMAPK1TDP1
SCHEMBL13753888 0.76 MAPT (0.71) MAPTKDM4EGLAMAPK1TDP1
SCHEMBL27681500 0.74 MAPT (0.73) MAPTKDM4EGLAMAPK1TDP1
SCHEMBL2731119 0.74 MAPT (0.73) MAPTKDM4EGLAMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682076-A4 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS INC (US) 2008-02-06 EP claimed
EP-1682076-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-07-26 EP claimed
US-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-12-01 US claimed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 WO claimed
EP-1682076-A4 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS INC (US) 2008-02-06 EP disclosed
EP-1682076-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF Fulcrum Pharmaceuticals, Inc. (US) 2006-07-26 EP disclosed
US-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof FULCRUM PHARMACEUTICALS, INC. (US) 2005-12-01 US disclosed
WO-2005041904-A2 INHIBITORS OF CORONAVIRUS PROTEASE AND METHODS OF USE THEREOF FULCRUM PHARMACEUTICALS, INC. (US) 2005-05-12 WO 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-20050267071-A1 Inhibitors of coronavirus protease and methods of use thereof ACE, ACE2, CTRL MAPT 1569/4885KDM4E 2334/4885GLA 503/4885

“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.