SCHEMBL5018797

SCHEMBL5018797

C[C@@H](CC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)C(=O)N[C@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.57
HDAC4 P56524 3/20 0.57
HDAC3 O15379 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
SCN9A Q15858 1/20 0.49
CTSS P25774 1/20 0.45
CTSK P43235 1/20 0.45
MMP3 P08254 5/20 0.42
MMP2 P08253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL13365375 0.92 HDAC1 (0.57) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL5018748 0.88 HDAC1 (0.62) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL7729352 0.87 HDAC1 (0.74) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL12890809 0.84 HDAC1 (0.68) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL13289996 0.84 HDAC1 (0.59) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL13290361 0.84 HDAC1 (0.61) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL13289991 0.83 HDAC1 (0.66) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL2747398 0.83 HDAC1 (0.66) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL13290003 0.83 HDAC1 (0.66) HDAC1HDAC4HDAC3HDAC7HDAC2
SCHEMBL13290360 0.83 HDAC1 (0.66) HDAC1HDAC4HDAC3HDAC7HDAC2

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 3 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2010-06-17 US disclosed
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF MPEX PHARMACEUTICALS, INC. (US) 2008-12-25 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-20100152098-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 HDAC1 852/4885HDAC4 653/4885HDAC3 1047/4885
US-20080318957-A1 POLYBASIC BACTERIAL EFFLUX PUMP INHIBITORS AND THERAPEUTIC USES THEREOF ABCB11, ABCB1, SLC47A1 HDAC1 852/4885HDAC4 653/4885HDAC3 1047/4885

“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.