SCHEMBL7100086

SCHEMBL7100086

CNC(=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 2/20 0.76
ALDH1A1 P00352 2/20 0.76
NPSR1 Q6W5P4 2/20 0.76
CYP1A2 P05177 1/20 0.76
CYP3A4 P08684 1/20 0.76
MAPT P10636 1/20 0.76
IDO1 P14902 1/20 0.76
HPGD P15428 1/20 0.76
BLM P54132 1/20 0.76
NOTUM Q6P988 1/20 0.76
MEN1 O00255 1/20 0.71
HTR2C P28335 1/20 0.71
KMT2A Q03164 1/20 0.71
LMNA P02545 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
TRPV1 Q8NER1 6/20 0.65
PTGS1 P23219 2/20 0.63
PTGS2 P35354 1/20 0.63

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
SCHEMBL13996187 0.87 SPR (0.73) SPRKDM4ECYP2D6ALDH1A1NPSR1
Acetylserotonin SCHEMBL29375184 0.86 SPR (1.00) SPRKDM4ECYP2D6ALDH1A1NPSR1
Acetylserotonin SCHEMBL30295379 0.86 SPR (1.00) SPRKDM4ECYP2D6ALDH1A1NPSR1
Acetylserotonin SCHEMBL422165 0.86 SPR (1.00) SPRKDM4ECYP2D6ALDH1A1NPSR1
Acetylserotonin SCHEMBL29669245 0.85 SPR (0.97) SPRKDM4ECYP2D6ALDH1A1NPSR1
Acetylserotonin SCHEMBL31488730 0.85 SPR (0.97) SPRKDM4ECYP2D6ALDH1A1NPSR1
SCHEMBL1960963 0.85 SPR (0.78) SPRKDM4ECYP2D6ALDH1A1NPSR1
SCHEMBL12720784 0.84 SPR (1.00) SPRKDM4ECYP2D6ALDH1A1NPSR1
SCHEMBL1131640 0.84 SPR (0.76) SPRKDM4ECYP2D6ALDH1A1NPSR1
SCHEMBL1129809 0.84 TRPV1 (0.78) SPRKDM4ECYP2D6ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3095781-B1 INDOLE COMPOUND ASTELLAS PHARMA INC (JP) 2018-10-03 EP disclosed
US-9637451-B2 Indole compound ASTELLAS PHARMA INC. (JP) 2017-05-02 US disclosed
US-9637451-B2 Indole compound ASTELLAS PHARMA INC. (JP) 2017-05-02 US disclosed
EP-3095781-A1 INDOLE COMPOUND Astellas Pharma Inc. (JP) 2016-11-23 EP disclosed
EP-3095781-A1 INDOLE COMPOUND Astellas Pharma Inc. (JP) 2016-11-23 EP disclosed
US-20160332966-A1 INDOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2016-11-17 US disclosed
US-20160332966-A1 INDOLE COMPOUND ASTELLAS PHARMA INC. (JP) 2016-11-17 US disclosed
EP-1057826-B1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-16 EP disclosed
US-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 US disclosed
EP-1057826-A1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-12-06 EP 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 (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-20160332966-A1 INDOLE COMPOUND MTNR1A, MTNR1B, IDO2 SPR 698/4885KDM4E 4151/4885CYP2D6 2656/4885

“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.