SCHEMBL4949381

SCHEMBL4949381

N[C@H](CCc1ccccc1)C(=O)Nc1ncc(Br)s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 3/20 0.60
CDK2 P24941 3/20 0.60
CDK5 Q00535 2/20 0.60
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
MAPT P10636 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
ROCK2 O75116 4/20 0.45
ROCK1 Q13464 2/20 0.45
LNPEP Q9UIQ6 2/20 0.44

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
SCHEMBL1244123 0.84 MEN1 (0.48) CCNE1CDK2CDK5MEN1ALDH1A1
SCHEMBL4951239 0.81 CCNE1 (0.53) CCNE1CDK2CDK5ROCK2ROCK1
SCHEMBL4949860 0.78 NPC1 (0.52) MEN1KMT2A
SCHEMBL4945628 0.76 CSNK1D (0.60) MEN1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL5184192 0.76 CCNE1 (0.53) CCNE1CDK2CDK5MEN1ALDH1A1
SCHEMBL5835922 0.75 CCNE1 (1.00) CCNE1CDK2CDK5MEN1ALDH1A1
SCHEMBL15143051 0.74 LTA4H (0.56) ALDH1A1MAPTHTTROCK2ROCK1
SCHEMBL8848708 0.74 TSHR (0.65) LNPEPERAP2HDAC1
SCHEMBL6282357 0.73 CDK2 (0.67) CCNE1CDK2CDK5MEN1ALDH1A1
SCHEMBL7873450 0.73 ANPEP (0.61) MEN1ALDH1A1KMT2ALNPEPERAP2

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 CCNE1 2752/4885CDK2 2778/4885CDK5 2697/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 CCNE1 4073/4885CDK2 3962/4885CDK5 4320/4885

“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.