SCHEMBL17618057

SCHEMBL17618057

Cc1ccc(NCc2ccc(C#N)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2A6 P11509 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADRA2B P18089 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK1G2 P78368 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
VNN1 O95497 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EGLN2 Q96KS0 1/20 0.38
IDH1 O75874 2/20 0.38
MAOB P27338 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL17618050 0.85 MAPT (0.49) MAPTHTTALDH1A1LMNATDP1
SCHEMBL17623845 0.83 KIF11 (0.45) ADRA2BFFAR1VNN1MEN1KMT2A
SCHEMBL320376 0.79 LOXL2 (0.50) CYP2A6FFAR1FFAR4VNN1EGLN2
SCHEMBL16211362 0.76 VNN1 (0.42) MAPTALDH1A1ADRA2BVNN1MEN1
SCHEMBL13232516 0.74 MAPT (0.61) MAPTHTTALDH1A1CYP2A6FFAR1
SCHEMBL5991901 0.74 MAPT (0.61) MAPTHTTALDH1A1CYP2A6FFAR1
SCHEMBL14950715 0.74 MAPT (0.61) MAPTHTTALDH1A1CYP2A6FFAR1
SCHEMBL29171043 0.74 FFAR1 (0.39) ADRA2BFFAR1FFAR4VNN1EGLN2
SCHEMBL16211907 0.74 MAPT (0.47) MAPTHTTLMNAVNN1MEN1
SCHEMBL25944585 0.74 NPSR1 (0.49) ALDH1A1LMNAVNN1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9878986-B2 Compounds for selective histone deacetylase inhibitors, and pharmaceutical composition comprising the same CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2018-01-30 US disclosed
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 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 (2 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-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 MAPT 92/4885HTT 58/4885ALDH1A1 1381/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 MAPT 92/4885HTT 58/4885ALDH1A1 1381/4885

“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.