SCHEMBL5000697

SCHEMBL5000697

CC(=O)c1ccccc1-c1cncc(N2CCN(c3cccc(Cl)c3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
LMNA P02545 4/20 0.45
TSHR P16473 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPK1 P28482 3/20 0.45
HTT P42858 2/20 0.45
NPC1 O15118 1/20 0.45
ALOX15 P16050 1/20 0.45
USP2 O75604 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL5000640 0.86 RAF1 (0.51) ALDH1A1LMNATSHRNPSR1SMN1; SMN2
SCHEMBL4997015 0.84 NPY2R (0.42) ALDH1A1LMNATSHRRAB9ANPC1
SCHEMBL5002999 0.84 DHFR (0.45) ALDH1A1TSHRNPSR1SMN1; SMN2MEN1
SCHEMBL4992025 0.84 NPC1 (0.47) ALDH1A1LMNANPSR1SMN1; SMN2RAB9A
SCHEMBL5000689 0.82 MAPT (0.53) ALDH1A1LMNATSHRNPSR1SMN1; SMN2
SCHEMBL5002971 0.82 PIM2 (0.50) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL5000893 0.79 ABCG2 (0.52) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4992310 0.78 LMNA (0.49) ALDH1A1LMNATSHRNPSR1SMN1; SMN2
SCHEMBL4994259 0.78 TSHR (0.41) ALDH1A1LMNATSHRNPSR1SMN1; SMN2
SCHEMBL5000715 0.77 NPY2R (0.41) ALDH1A1MAPT

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases AXXIMA PHARMACEUTICALS AG (DE) 2008-08-14 US claimed

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-20080194574-A1 Pyrazine Derivatives As Effective Compounds Against Infectious Diseases PRNP, PSEN1, PPP5C ALDH1A1 1034/4885LMNA 2743/4885TSHR 2332/4885

“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.