SCHEMBL5943982

SCHEMBL5943982

[CH2]N(CCO)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
MITF O75030 1/20 0.41
NSD2 O96028 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 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
SCHEMBL1776018 0.81 TSHR (0.55) ALDH1A1TSHRCYP3A4CYP2C19LMNA
SCHEMBL3374460 0.78 TSHR (0.48) ALDH1A1TSHRCYP2C19LMNAAOC3
SCHEMBL79747 0.77 HTT (0.62) HTTTDP1KMT2AMEN1ALDH1A1
SCHEMBL122771 0.77 HTT (0.68) HTTTDP1KMT2AMEN1ALDH1A1
SCHEMBL23532688 0.76 CYP1A2 (0.56) HTTTDP1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL2313460 0.76 HTT (0.61) HTTTDP1KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL6162321 0.76 HTT (0.66) HTTTDP1KMT2AMEN1ALDH1A1
SCHEMBL9320386 0.76 HTT (0.66) HTTTDP1KMT2AMEN1ALDH1A1
Bromide SCHEMBL15391224 0.76 HTT (0.61) HTTTDP1KMT2AMEN1ALDH1A1
SCHEMBL3371050 0.75 TSHR (0.45) TDP1KMT2AMEN1ALDH1A1TSHR

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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US claimed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP claimed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO claimed
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 WO disclosed
CN-1092197-C Bicyclic thiophene derivatives and use as gonadotropin releasing hormone antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-10-09 CN disclosed
CN-1146206-A Bicyclic thiophene derivatives and use as gonadotropin releasing hormone antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-03-26 CN 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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 HTT 293/4885TDP1 1101/4885KMT2A 100/4885

“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.