SCHEMBL17954339

SCHEMBL17954339

CCCCCNC(=O)Cc1cnc2ccc(OC)cc2c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.49
MTNR1B P49286 7/20 0.49
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL20101355 0.86 MTNR1A (0.44) MTNR1AMTNR1BMAPTSMN1; SMN2KDM4E
SCHEMBL16627089 0.85 MTNR1A (0.45) MTNR1AMTNR1BNPSR1MAPTSMN1; SMN2
SCHEMBL16624688 0.83 ALDH1A1 (0.50) MTNR1AMTNR1BNPSR1MAPTSMN1; SMN2
SCHEMBL17955289 0.83 MTNR1A (0.42) MTNR1AMTNR1BMAPTSMN1; SMN2KDM4E
SCHEMBL17955301 0.82 MTNR1A (0.41) MTNR1AMTNR1BMAPTSMN1; SMN2TP53
SCHEMBL16627109 0.82 CYP1A2 (0.47) MTNR1AMTNR1BNPSR1MAPTSMN1; SMN2
SCHEMBL17954338 0.82 ALDH1A1 (0.49) MTNR1AMTNR1BNPSR1MAPTSMN1; SMN2
SCHEMBL17955298 0.82 MTNR1A (0.42) MTNR1AMTNR1BMAPTSMN1; SMN2KDM4E
SCHEMBL16624680 0.81 ALDH1A1 (0.53) MTNR1AMTNR1BNPSR1MAPTSMN1; SMN2
SCHEMBL17954340 0.79 NR1H2 (0.49) MTNR1AMAPTKDM4EALDH1A1LMNA

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-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed
US-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-10-20 US disclosed
US-20160244756-A1 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-08-25 US disclosed
US-20160215288-A1 ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH INC. 2016-07-28 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 (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-20160304863-A1 3'END CAPS FOR RNAi AGENTS FOR USE IN RNA INTERFERENCE RNGTT, NSUN2, NSUN3 MTNR1A 4138/4885MTNR1B 4314/4885NPSR1 3801/4885

“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.