SCHEMBL13645692

SCHEMBL13645692

NC(=O)NCCc1c[nH]c2ccc(O)cc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.76
KDM4E B2RXH2 3/20 0.76
CYP2D6 P10635 3/20 0.76
NPSR1 Q6W5P4 3/20 0.76
NOTUM Q6P988 2/20 0.76
ALDH1A1 P00352 2/20 0.76
CYP1A2 P05177 2/20 0.76
CYP3A4 P08684 2/20 0.76
MAPT P10636 2/20 0.76
IDO1 P14902 1/20 0.76
HPGD P15428 1/20 0.76
BLM P54132 1/20 0.76
MTNR1A P48039 1/20 0.69
MTNR1B P49286 1/20 0.69
TRPV1 Q8NER1 3/20 0.66
PTGS1 P23219 1/20 0.66
PTGS2 P35354 1/20 0.66
HTR2C P28335 3/20 0.66
LMNA P02545 1/20 0.66
TDP1 Q9NUW8 1/20 0.66

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
SCHEMBL29679229 1.00 SPR (0.76) SPRKDM4ECYP2D6NPSR1NOTUM
SCHEMBL1960963 0.87 SPR (0.78) SPRKDM4ECYP2D6NPSR1NOTUM
Acetylserotonin SCHEMBL30295379 0.86 SPR (1.00) SPRKDM4ECYP2D6NPSR1NOTUM
Acetylserotonin SCHEMBL422165 0.86 SPR (1.00) SPRKDM4ECYP2D6NPSR1NOTUM
Acetylserotonin SCHEMBL29375184 0.86 SPR (1.00) SPRKDM4ECYP2D6NPSR1NOTUM
SCHEMBL6028502 0.86 SPR (0.67) SPRKDM4ECYP2D6NPSR1NOTUM
SCHEMBL25137286 0.85 TRPV1 (0.76) SPRKDM4ECYP2D6NPSR1NOTUM
SCHEMBL625920 0.85 MTNR1A (0.76) NOTUMHPGDMTNR1AMTNR1BPTGS1
Acetylserotonin SCHEMBL31488730 0.85 SPR (0.97) SPRKDM4ECYP2D6NPSR1NOTUM
Acetylserotonin SCHEMBL29669245 0.85 SPR (0.97) SPRKDM4ECYP2D6NPSR1NOTUM

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-20210023052-A1 COMPOSITIONS CONTAINING TOAD SECRETION COMPOUNDS CAAMTECH, INC. 2021-01-28 US disclosed
US-9486441-B2 Compounds, compositions and methods for making the same SIGNUM BIOSCIENCES, INC. (US) 2016-11-08 US disclosed
WO-2009132051-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR MAKING THE SAME SIGNUM BIOSCIENCES, INC. (US) 2009-10-29 WO disclosed
US-20090264496-A1 Compounds, Compositions and Methods for Making the Same SIGNUM BIOSCIENCES, INC. 2009-10-22 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 (2 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-20090264496-A1 Compounds, Compositions and Methods for Making the Same PPP2CA, PPP4C, PPP6C SPR 1640/4885KDM4E 243/4885CYP2D6 3523/4885
US-20210023052-A1 COMPOSITIONS CONTAINING TOAD SECRETION COMPOUNDS HTR5A, HTR1A, HTR7 SPR 1988/4885KDM4E 2132/4885CYP2D6 948/4885

“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.