SCHEMBL80280

SCHEMBL80280

[C-]#[N+]c1cccc(C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
HDAC1 Q13547 3/20 0.46
PPARG P37231 3/20 0.43
PPARA Q07869 3/20 0.43
PPARD Q03181 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HDAC6 Q9UBN7 2/20 0.40
HDAC10 Q969S8 1/20 0.40
GAA P10253 1/20 0.40
KDM4A O75164 1/20 0.40
GLS O94925 2/20 0.39
BRD4 O60885 1/20 0.39
HPN P05981 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL80390 0.81 NAMPT (0.47) NAMPTHDAC1PPARGPPARAPPARD
SCHEMBL3180689 0.75 L3MBTL1 (0.61) NAMPTHDAC1L3MBTL1HDAC6HDAC10
SCHEMBL12133585 0.75 HDAC1 (0.58) NAMPTHDAC1PPARGPPARAPPARD
SCHEMBL8127981 0.73 EPHX2 (0.59) NAMPTHDAC1L3MBTL1HDAC6HDAC10
SCHEMBL7566750 0.73 SLC7A5 (0.48) CA1CA2
SCHEMBL10165179 0.73 NAMPT (0.56) NAMPTHDAC1L3MBTL1HDAC6HDAC10
SCHEMBL133327 0.73 KMT2A (0.60) NAMPTHDAC1L3MBTL1GAACA1
SCHEMBL22452275 0.72 PPARG (0.52) NAMPTHDAC1PPARGPPARAPPARD
SCHEMBL21119732 0.72 NAMPT (0.55) NAMPTHDAC1L3MBTL1HDAC6HDAC10
SCHEMBL8220824 0.72 EPHX2 (0.60) NAMPTHDAC1L3MBTL1HDAC6HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129527-B2 cancer and non-cancer diseases associated with vascular proliferation; mitoxantrone resistant, taxol resistant cancers NEREUS PHARMACUTICALS, INC. (US) 2012-03-06 US disclosed
US-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE BEYONDSPRING PHARMACEUTICALS, INC. 2008-09-11 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-20080221122-A1 ANALOGS OF DEHYDROPHENYLAHISTINS AND THEIR THEAPEUTIC USE HPGDS, DHPS, HCCS NAMPT 562/4885HDAC1 2200/4885PPARG 1455/4885

“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.