SCHEMBL22553665

SCHEMBL22553665

N#Cc1ccc2nc(CCCl)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.53
GRIN2B Q13224 1/20 0.53
PIN1 Q13526 1/20 0.51
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.50
PKN1 Q16512 1/20 0.50
PKN2 Q16513 1/20 0.50
CSNK1A1 P48729 5/20 0.48
CSNK1D P48730 5/20 0.48
GSK3B P49841 4/20 0.48
CSNK1G2 P78368 4/20 0.48
METAP2 P50579 1/20 0.47
METAP1 P53582 1/20 0.47
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CHEK2 O96017 1/20 0.44

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
SCHEMBL7381841 0.88 GRIN1 (0.55) GRIN1GRIN2BPIN1KMT2APOLB
SCHEMBL7655135 0.85 RAD52 (0.61) GRIN1GRIN2BPIN1KMT2APOLB
SCHEMBL3391734 0.81 GRIN1 (0.55) GRIN1GRIN2BPIN1KMT2APOLB
SCHEMBL7653726 0.81 TDP1 (0.59) GRIN1GRIN2BPIN1KMT2APOLB
SCHEMBL7653331 0.81 GRIN1 (0.53) GRIN1GRIN2BPIN1KMT2APOLB
SCHEMBL8387327 0.79 GRIN1 (0.46) GRIN1GRIN2BPIN1KMT2APOLB
SCHEMBL4069591 0.77 PIN1 (0.63) GRIN1GRIN2BPIN1PKN1PKN2
SCHEMBL7659965 0.76 HTT (0.63) GRIN1GRIN2BPIN1KMT2APOLB
SCHEMBL1245514 0.76 PIN1 (0.58) GRIN1GRIN2BPIN1PKN1PKN2
SCHEMBL485969 0.75 GRIN1 (0.43) GRIN1GRIN2BPIN1KMT2APKN1

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-20200331847-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS VALO HEALTH, INC. 2020-10-22 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-20200331847-A1 ALPHA-CINNAMIDE COMPOUNDS AND COMPOSITIONS AS HDAC8 INHIBITORS HDAC8, HDAC7, HDAC1 GRIN1 1509/4885GRIN2B 3110/4885PIN1 235/4885

“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.