SCHEMBL4952246

SCHEMBL4952246

NC(=O)c1nc2ccccc2nc1NC(=O)[CH]CCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.41
APP P05067 2/20 0.41
BCHE P06276 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
IKBKB O14920 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
GPR52 Q9Y2T5 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
PIM1 P11309 2/20 0.36
NR3C2 P08235 1/20 0.35
ADORA3 P0DMS8 2/20 0.35

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
SCHEMBL4951752 0.82 SMN1; SMN2 (0.40) ACHEAPPBCHEMEN1KMT2A
SCHEMBL7873448 0.75 MAPT (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL11623632 0.74 MAPT (0.47) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL4945845 0.74 HTT (0.40) SMN1; SMN2ALDH1A1MAPTNPC1IKBKB
SCHEMBL4945662 0.71 PLAU (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4952954 0.71 NPC1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4952880 0.71 HCAR2 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4950391 0.71 PLAU (0.52) MEN1KMT2ASMN1; SMN2MAPTNPC1
SCHEMBL5227510 0.70 RAB9A (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4945042 0.69 SIRT2 (0.40) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS REMPEX PHARMACEUTICALS, INC. 2008-03-27 US disclosed
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections REMPEX PHARMACEUTICALS, INC. 2006-01-05 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-20080076741-A1 ENHANCEMENT OF TIGECYCLINE POTENCY USING EFFLUX PUMP INHIBITORS ABCB1, ABCB11, SLC47A2 ACHE 2101/4885APP 4749/4885BCHE 1520/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 ACHE 2910/4885APP 3778/4885BCHE 1430/4885

“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.