SCHEMBL4995201

SCHEMBL4995201

CC(=O)c1ccc(N2CCN(c3cncc(-c4csc5ccccc45)n3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 2/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CHEK1 O14757 2/20 0.40
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 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
SCHEMBL4997730 0.86 ACVRL1 (0.43) MAPTALDH1A1LMNAHPGDTP53
SCHEMBL4995180 0.86 MAPT (0.44) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL4987334 0.84 NPC1 (0.45) MAPTALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4997527 0.84 MAPT (0.48) MAPTLMNANPC1RAB9ATP53
SCHEMBL4994812 0.84 RAB9A (0.48) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL4992152 0.84 ALDH1A1 (0.41) MAPTALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL4997051 0.83 MAPT (0.55) MAPTALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL4992025 0.82 NPC1 (0.47) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL4995160 0.81 ACVRL1 (0.41) MAPTALDH1A1LMNATP53HSD17B10
SCHEMBL4997060 0.79 ALDH1A1 (0.46) MAPTALDH1A1SMN1; SMN2LMNANPC1

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 MAPT 5/4885ALDH1A1 1034/4885SMN1; SMN2 896/4885

“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.