SCHEMBL5884178

SCHEMBL5884178

c1ccc(COc2cccc(-c3nc4ccccc4n3CCN3CCCCC3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.54
HDAC8 Q9BY41 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
ESR1 P03372 2/20 0.52
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
BACE1 P56817 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TP53 P04637 2/20 0.47
LTA4H P09960 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
ADRA1A P35348 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46

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
SCHEMBL5883813 0.87 HDAC1 (0.57) HDAC1HDAC8HDAC6USP2TSHR
Hydrochloric Acid SCHEMBL8021990 0.81 P2RX7 (0.58) HDAC1HDAC8HDAC6USP2TSHR
SCHEMBL5884179 0.81 NPY1R (0.57) NPSR1TP53KCNH2MAPTKMT2A
SCHEMBL5883766 0.80 HDAC1 (0.52) HDAC1HDAC8HDAC6USP2TSHR
SCHEMBL5883742 0.79 DRD2 (0.62) HDAC1HDAC8HDAC6TSHRESR1
SCHEMBL5883566 0.79 LTA4H (0.52) HDAC1HDAC8HDAC6USP2TSHR
SCHEMBL5883743 0.79 HDAC1 (0.51) HDAC1HDAC8HDAC6USP2TSHR
SCHEMBL8021418 0.76 BACE1 (0.62) ESR1DRD2DRD3BACE1L3MBTL1
SCHEMBL15568264 0.75 TP53 (0.72) NPSR1TP53MAPTMEN1KMT2A
SCHEMBL29056560 0.75 P2RX7 (0.67) HDAC1HDAC8HDAC6ESR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022714-B2 Aryl substituted benzimidazoles and their use as sodium channel blockers EURO-CELTIQUE S.A. (LU) 2006-04-04 US claimed
EP-1532119-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-05-25 EP claimed
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers PURDUE PHARMA L.P. 2004-07-08 US claimed
WO-2004011439-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 WO claimed
US-7022714-B2 Aryl substituted benzimidazoles and their use as sodium channel blockers EURO-CELTIQUE S.A. (LU) 2006-04-04 US disclosed
EP-1532119-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-05-25 EP disclosed
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers PURDUE PHARMA L.P. 2004-07-08 US disclosed
WO-2004011439-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 WO 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-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers CACNA1S, CACNA1I, SCN1A HDAC1 86/4885HDAC8 674/4885HDAC6 324/4885

“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.