SCHEMBL4559079

SCHEMBL4559079

CCCOc1ccccc1Oc1ncc(C(N)=O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
LMNA P02545 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
OPRK1 P41145 2/20 0.46
NR1I2 O75469 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HTT P42858 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
NLRP1 Q9C000 1/20 0.43
HSD17B10 Q99714 1/20 0.42
NNMT P40261 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4560076 0.84 NNMT (0.50) LMNAMEN1KMT2AHTTALDH1A1
SCHEMBL4558939 0.81 PARP10 (0.52) MAPTOPRK1HTTALDH1A1OPRM1
SCHEMBL4559035 0.76 RXRA (0.44) CYP3A4HDAC6GAAPARP10
SCHEMBL10995601 0.73 CYP1A2 (0.50) MAPTLMNAMEN1KMT2AHTR2B
SCHEMBL11098396 0.72 HTT (0.57) MAPTLMNAMEN1KMT2AOPRK1
SCHEMBL3352936 0.72 LMNA (0.79) MAPTLMNAMEN1KMT2AOPRK1
SCHEMBL1246894 0.72 PARP10 (0.59) MAPTMEN1KMT2AOPRK1CYP3A4
SCHEMBL27711055 0.71 MAPK1 (0.64) MAPTMEN1KMT2ACYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL1239153 0.71 LMNA (0.77) MAPTLMNAMEN1KMT2AOPRK1
Hydrochloric Acid SCHEMBL7831044 0.71 LMNA (0.77) MAPTLMNAMEN1KMT2AOPRK1

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-7504396-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-20050209221-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2005-09-22 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-20050209221-A1 Substituted heterocyclic compounds and methods of use ICOS, CD4, HLA-DRB1 MAPT 353/4885LMNA 4129/4885MEN1 134/4885

“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.