SCHEMBL18151630

SCHEMBL18151630

CCCC[CH]NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
NCOR2 Q9Y618 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.57
CYP1A2 P05177 2/20 0.57
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 3/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 2/20 0.52
DRD2 P14416 2/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
HPGD P15428 3/20 0.51
CTDSP1 Q9GZU7 1/20 0.49

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
SCHEMBL1556345 0.91 NAAA (0.54) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL1416822 0.86 NAAA (0.57) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL692327 0.85 RAB9A (0.49) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL1416655 0.80 RAB9A (0.49) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL2237461 0.79 SMN1; SMN2 (0.52) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL6360275 0.76 DRD2 (0.78) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL1004988 0.75 DRD2 (0.81) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL6075048 0.75 CYP1A2 (0.58) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL5604600 0.75 CYP1A2 (0.58) HDAC3HDAC1HDAC2HDAC8NCOR2
SCHEMBL727648 0.75 RAB9A (0.53) HDAC3HDAC1HDAC2HDAC8NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160303243-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GLYCAN BIOSCIENCES LLC (US) 2016-10-20 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-20160303243-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GNE, CD44, FUT5 HDAC3 596/4885HDAC1 561/4885HDAC2 1582/4885

“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.