SCHEMBL4818482

SCHEMBL4818482

COC(=O)c1ccc(C#CCNC(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 2/20 0.53
PDGFRA P16234 2/20 0.53
FLT3 P36888 1/20 0.53
XDH P47989 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
HRH4 Q9H3N8 1/20 0.44
KDM4E B2RXH2 6/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NAMPT P43490 1/20 0.42
SYK P43405 2/20 0.41
HTR2C P28335 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HDAC3 O15379 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
SCHEMBL14178951 0.92 PDGFRB (0.54) PDGFRBPDGFRAFLT3HRH3HRH4
SCHEMBL14613774 0.91 PDGFRB (0.52) PDGFRBPDGFRAFLT3HRH3HRH4
SCHEMBL4821303 0.91 PDGFRB (0.53) PDGFRBPDGFRAFLT3HRH3HRH4
Hydrochloric Acid SCHEMBL4815345 0.90 PDGFRB (0.52) PDGFRBPDGFRAFLT3HRH3HRH4
SCHEMBL4250060 0.89 PDGFRB (0.51) PDGFRBPDGFRAFLT3HRH3HRH4
SCHEMBL14533832 0.85 NAMPT (0.59) PDGFRBPDGFRAFLT3XDHHRH3
SCHEMBL14178952 0.83 KDM4E (0.46) PDGFRBPDGFRAFLT3XDHKDM4E
SCHEMBL8312368 0.83 HDAC1 (0.46) XDHKDM4EMAPTALDH1A1NPC1
SCHEMBL14613790 0.82 KDM4E (0.46) XDHKDM4EMAPTALDH1A1NPC1
SCHEMBL4819051 0.78 KDM4E (0.56) PDGFRBPDGFRAKDM4EMAPTALDH1A1

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-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2008-06-12 US disclosed
US-7368572-B2 Acetylene derivatives as inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2008-05-06 US disclosed
US-20070105939-A1 Mesylate salt of 5-(2-dimethylaminoethoxy)-1H-indole-2-carboxylic acid [3-(4-hydroxycarbamoylphenyl)prop-2-ynyl]amide PHARMACYCLICS, INC. (US) 2007-05-10 US disclosed
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2005-06-16 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 (3 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-20080139547-A1 ACETYLENE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC10, HDAC2 PDGFRB 3829/4885PDGFRA 3581/4885FLT3 3864/4885
US-20070105939-A1 Mesylate salt of 5-(2-dimethylaminoethoxy)-1H-indole-2-carboxylic acid [3-(4-hydroxycarbamoylphenyl)prop-2-ynyl]amide HTR5A, HTR2B, HTR2A PDGFRB 208/4885PDGFRA 323/4885FLT3 2371/4885
US-20050131018-A1 Acetylene derivatives as inhibitors of histone deacetylase HDAC1, HDAC10, HDAC2 PDGFRB 3829/4885PDGFRA 3581/4885FLT3 3864/4885

“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.