SCHEMBL5492375

SCHEMBL5492375

NC(=O)c1ccnc(NCCCCNC(=O)[CH]Cc2ccc(-c3ccccc3)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
GAS6 Q14393 1/20 0.36
TGM2 P21980 1/20 0.35
MAPK8 P45983 3/20 0.35
PIK3CG P48736 1/20 0.35
GSK3B P49841 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
PTAFR P25105 1/20 0.34
HIF1A Q16665 1/20 0.34
PIK3CB P42338 1/20 0.34
EPHX2 P34913 1/20 0.34
JAK2 O60674 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL5494953 0.94 ADRA1D (0.41) ADRA1DADRA1AADRA1BPIM1PIM2
SCHEMBL5499850 0.86 HPGD (0.46) PTAFRHDAC2
SCHEMBL19476571 0.70 HRH4 (0.52) ADRA1DADRA1AADRA1BFLT3TYRO3
SCHEMBL9411677 0.69 DRD2 (0.48) ADRA1DADRA1AADRA1B
SCHEMBL4831961 0.69 LMNA (0.42) EPHX2
SCHEMBL9471414 0.68 DRD2 (0.50) ADRA1DADRA1AADRA1B
SCHEMBL4238069 0.68 KMT2A (0.35)
SCHEMBL6167127 0.68 TAAR1 (0.48) TGM2EPHX2
SCHEMBL5492378 0.67 TPH1 (0.45)
SCHEMBL4831945 0.66 FFAR1 (0.46) EPHX2HDAC2

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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia SIRCAR JAGADISH C 2007-01-04 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-20070004644-A1 Mediators of reverse cholesterol transport for the treatment of hypercholesterolemia CETP, LDLR, NPC1L1 ADRA1D 1837/4885ADRA1A 851/4885ADRA1B 1239/4885

“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.