SCHEMBL2136602

SCHEMBL2136602

COC(=O)c1ccc(/C=C/C(=O)NCCc2ccccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
GSK3B P49841 2/20 0.55
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 1/20 0.52
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
MMP1 P03956 2/20 0.48
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
POLB P06746 2/20 0.48
RECQL P46063 1/20 0.48
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
NLRP3 Q96P20 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL2136611 1.00 RAB9A (0.64) RAB9ANPC1GSK3BALDH1A1KDM4E
SCHEMBL2134277 0.87 RAB9A (0.58) RAB9ANPC1GSK3BALDH1A1KDM4E
SCHEMBL2134266 0.87 RAB9A (0.58) RAB9ANPC1GSK3BALDH1A1KDM4E
SCHEMBL7938250 0.85 RAB9A (0.56) RAB9ANPC1GSK3BALDH1A1KDM4E
SCHEMBL8848190 0.79 MMP1 (0.68) RAB9ANPC1GSK3BALDH1A1KDM4E
SCHEMBL4259719 0.79 HDAC1 (0.62) RAB9ANPC1GSK3BHDAC1
SCHEMBL4259714 0.79 HDAC1 (0.62) RAB9ANPC1GSK3BHDAC1
SCHEMBL701749 0.77 TAS1R3 (0.56) RAB9ANPC1ALDH1A1KMT2ALMNA
SCHEMBL509956 0.75 PKM (0.59) RAB9ANPC1ALDH1A1KDM4EHPGD
SCHEMBL4923114 0.75 PKM (0.53) RAB9ANPC1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 US disclosed
US-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 US disclosed
US-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY THE GENERAL HOSPITAL CORPORATION D/B/A MASSACHUSETTS GENERAL HOSPITAL (US) 2012-04-26 US disclosed
WO-2010065117-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2010-06-10 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-20120101147-A1 INHIBITION OF HDAC2 TO PROMOTE MEMORY HDAC2, HDAC1, HDAC3 RAB9A 2199/4885NPC1 1057/4885GSK3B 176/4885

“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.