SCHEMBL4533488

SCHEMBL4533488

Cn1c(=O)c2c(ncn2CC(=O)Nc2ccccc2Oc2ccccc2)n(C)c1=O

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.80
TP53 P04637 3/20 0.78
CYP1A2 P05177 1/20 0.71
ALDH1A1 P00352 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
TSHR P16473 1/20 0.66
RXFP1 Q9HBX9 6/20 0.64
KMT2A Q03164 1/20 0.61
POLB P06746 1/20 0.61
PORCN Q9H237 1/20 0.60
KDM4E B2RXH2 1/20 0.60
MAPK1 P28482 1/20 0.60
USP2 O75604 1/20 0.59
GAA P10253 1/20 0.58

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
SCHEMBL10114488 0.89 ALOX15 (1.00) ALOX15TP53CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL10114059 0.87 RXFP1 (0.71) ALOX15TP53CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL10114474 0.83 CYP1A2 (1.00) ALOX15TP53CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL4533692 0.83 RXFP1 (0.78) ALOX15TP53CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL12584350 0.82 CYP1A2 (0.78) ALOX15TP53CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL10113906 0.82 RXFP1 (0.84) ALOX15TP53CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL10114499 0.82 TSHR (0.83) ALOX15TP53CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL10114247 0.81 CYP1A2 (0.77) ALOX15TP53CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL10114273 0.81 ALDH1A1 (0.81) ALOX15TP53CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL10114051 0.81 CYP1A2 (0.76) ALOX15TP53CYP1A2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES HYDRA BIOSCIENCES, INC (US) 2013-11-14 US disclosed
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 (4 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 ALOX15 1080/4885TP53 1505/4885CYP1A2 1483/4885
US-20130303521-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALOX15 1080/4885TP53 1505/4885CYP1A2 1483/4885
US-20130165427-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 ALOX15 1080/4885TP53 1505/4885CYP1A2 1483/4885
US-20130059869-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 ALOX15 148/4885TP53 4574/4885CYP1A2 1369/4885

“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.