SCHEMBL4949871

SCHEMBL4949871

N[C@H](CCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.66
ELOVL1 Q9BW60 2/20 0.60
HDAC3 O15379 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 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
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
ROCK1 Q13464 2/20 0.56
ROCK2 O75116 1/20 0.56
MRE11 P49959 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
PRKACA P17612 1/20 0.54
MAPT P10636 2/20 0.53
ADORA3 P0DMS8 1/20 0.53

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
SCHEMBL21225987 1.00 HDAC6 (0.66) HDAC6ELOVL1HDAC3HDAC4HDAC1
SCHEMBL21225986 1.00 HDAC6 (0.66) HDAC6ELOVL1HDAC3HDAC4HDAC1
SCHEMBL4950607 0.94 HDAC6 (0.68) HDAC6ELOVL1HDAC3HDAC4HDAC1
SCHEMBL21224492 0.87 HDAC6 (0.67) HDAC6ELOVL1HDAC3HDAC4HDAC1
SCHEMBL21224494 0.87 HDAC6 (0.67) HDAC6ELOVL1HDAC3HDAC4HDAC1
SCHEMBL1244330 0.86 HDAC6 (0.59) HDAC6ELOVL1HDAC3HDAC4HDAC1
SCHEMBL21224196 0.86 HDAC6 (0.66) HDAC6ELOVL1HDAC1ROCK1ROCK2
SCHEMBL21224198 0.86 HDAC6 (0.66) HDAC6ELOVL1HDAC1ROCK1ROCK2
SCHEMBL21241893 0.85 HDAC6 (0.64) HDAC6ELOVL1HDAC3HDAC4HDAC1
SCHEMBL21241891 0.85 HDAC6 (0.64) HDAC6ELOVL1HDAC3HDAC4HDAC1

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 HDAC6 262/4885ELOVL1 86/4885HDAC3 812/4885
US-20060003944-A1 Bacterial efflux pump inhibitors and methods of treating bacterial infections ABCB11, ABCB1, ABCC1 HDAC6 509/4885ELOVL1 369/4885HDAC3 985/4885

“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.