SCHEMBL17954336

SCHEMBL17954336

CCCCCNC(=O)Cc1ncc2ccccc2c1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ASAH1 Q13510 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAAA Q02083 1/20 0.41
DHODH Q02127 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL20799451 0.97 HPGD (0.46) HPGDTDP1CYP1A2CYP3A4CYP2D6
SCHEMBL17954342 0.80 HPGD (0.56) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17955290 0.79 TERT (0.38) MEN1KMT2ADHODH
SCHEMBL17955274 0.79 MEN1 (0.37) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL16627089 0.78 MTNR1A (0.45) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16624730 0.77 SMN1; SMN2 (0.48) HPGDTDP1KDM4EALDH1A1HSD17B10
SCHEMBL21610293 0.76 TDP1 (0.43) HPGDTDP1CYP1A2CYP3A4CYP2D6
SCHEMBL18165314 0.76 HPGD (0.60) HPGDCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17954334 0.75 SMN1; SMN2 (0.64) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL16627109 0.74 CYP1A2 (0.47) HPGDCYP1A2CYP3A4CYP2D6CYP2C19

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 HPGD 4795/4885TDP1 685/4885CYP1A2 4882/4885

“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.