SCHEMBL4532803

SCHEMBL4532803

Cn1c(=O)[nH]c2ncn(CC=O)c2c1=O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
TSHR P16473 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
CNOT7 Q9UIV1 10/20 0.43
ADORA2B P29275 3/20 0.43
PARN O95453 1/20 0.42
ADORA2A P29274 2/20 0.42
APAF1 O14727 1/20 0.40
CASP6 P55212 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 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
SCHEMBL14619429 0.87 ALDH1A1 (0.59) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL13217674 0.83 ALDH1A1 (0.66) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL4534193 0.81 LMNA (0.62) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL13659011 0.79 ALDH1A1 (0.60) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL3843737 0.79 ALDH1A1 (0.60) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL9299928 0.79 LMNA (0.60) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL9386885 0.78 ALDH1A1 (0.59) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL2956851 0.78 ALDH1A1 (0.59) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL1065735 0.78 LMNA (0.59) ALDH1A1LMNACYP3A4MAPTTSHR
SCHEMBL9300704 0.77 LMNA (0.57) ALDH1A1LMNACYP3A4MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. (US) 2013-06-27 US disclosed
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS HYDRA BIOSCIENCES, INC. 2013-03-07 US disclosed
US-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC. 2012-05-03 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 (3 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-20120108614-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885LMNA 594/4885CYP3A4 2741/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALDH1A1 1104/4885LMNA 594/4885CYP3A4 2741/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALDH1A1 968/4885LMNA 819/4885CYP3A4 2805/4885

“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.