SCHEMBL5018352

SCHEMBL5018352

CCCOc1cccc(NC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](N)CC(=O)N(CCN)CCN)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
MEF2D Q14814 1/20 0.42
LTA4H P09960 1/20 0.41
LMNA P02545 4/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
SIRT2 Q8IXJ6 3/20 0.39
CYP2D6 P10635 1/20 0.39
FAAH O00519 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL5018356 0.94 HDAC4 (0.47) HDAC4MEF2DLTA4HLMNAHTT
SCHEMBL5018496 0.91 LTA4H (0.46) LTA4HLMNAMAPTKMT2ANPC1
SCHEMBL5018582 0.89 FURIN (0.40) HDAC4MEF2DLTA4HLMNATSHR
SCHEMBL5025846 0.89 FURIN (0.40) HDAC4MEF2DLTA4HLMNATSHR
SCHEMBL5018389 0.87 S1PR1 (0.51) LTA4HLMNAMAPTKMT2AS1PR1
SCHEMBL5018354 0.86 CASR (0.44) HDAC4MEF2DALDH1A1GAATSHR
SCHEMBL5018391 0.86 S1PR1 (0.54) LTA4HFAAHS1PR1S1PR3
SCHEMBL5018174 0.85 METAP2 (0.49) LTA4HLMNAGAAHPGDMAPT
SCHEMBL5018413 0.83 MMP3 (0.41) HDAC4MEF2DCHRNB2CHRNB4CHRNA3
SCHEMBL5018308 0.83 CALCRL (0.41) HDAC4LMNAALDH1A1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-8178490-B2 Polybasic bacterial efflux pump inhibitors and therapeutic uses thereof REMPEX PHARMACEUTICALS, INC. (US) 2012-05-15 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 HDAC4 653/4885MEF2D 4452/4885LTA4H 3098/4885

“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.