SCHEMBL5019149

SCHEMBL5019149

CNCCN(CCCCC(=O)OCc1ccccc1)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
NCOR2 Q9Y618 2/20 0.50
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
EPHX2 P34913 1/20 0.43
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
APP P05067 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LTA4H P09960 1/20 0.40
LMNA P02545 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40

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
SCHEMBL8058784 0.84 ALDH1A1 (0.49) CCR6PAX8ALDH1A1MAPK1L3MBTL1
SCHEMBL5019119 0.84 HDAC1 (0.57) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL20369404 0.82 EPHX2 (0.56) EPHX2ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL17787475 0.81 LTA4H (0.56) EPHX2ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL8885275 0.80 BCHE (0.52) BCHEACHEALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL25244621 0.80 LTA4H (0.54) EPHX2ALDH1A1MAPK1L3MBTL1HTT
SCHEMBL25259191 0.79 ALDH1A1 (0.49) BCHEACHEALDH1A1MAPK1L3MBTL1
SCHEMBL25203501 0.79 HDAC1 (0.62) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL16730590 0.79 HDAC1 (0.62) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL13130804 0.79 ALDH1A1 (0.45) EPHX2CCR6PAX8ALDH1A1MAPK1

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-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

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 HDAC3 1047/4885HDAC1 852/4885HDAC2 1977/4885

“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.