SCHEMBL16384407

SCHEMBL16384407

CCC(=O)NCCNCCNC

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
RECQL P46063 1/20 0.37
CYP2C9 P11712 2/20 0.35
NAAA Q02083 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.34
PAOX Q6QHF9 1/20 0.33

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
SCHEMBL6755662 0.93
Hydrochloric Acid SCHEMBL28287301 0.91 MEN1 (0.61) MEN1KMT2AMTNR1AMTNR1BRECQL
SCHEMBL26018096 0.85 MEN1 (0.45) MEN1KMT2AMTNR1AMTNR1BRECQL
SCHEMBL14258481 0.84 MEN1 (0.54) MEN1KMT2AMTNR1AMTNR1BRECQL
SCHEMBL15482299 0.84 MEN1 (0.54) MEN1KMT2AMTNR1AMTNR1BRECQL
SCHEMBL9921438 0.84 MEN1 (0.58) MEN1KMT2ARECQLCYP2C9NAAA
SCHEMBL9921406 0.84 MEN1 (0.58) MEN1KMT2ARECQLCYP2C9NAAA
SCHEMBL9921400 0.84 MEN1 (0.58) MEN1KMT2ARECQLCYP2C9NAAA
SCHEMBL9921399 0.84 MEN1 (0.58) MEN1KMT2ARECQLCYP2C9NAAA
SCHEMBL9921398 0.84 MEN1 (0.58) MEN1KMT2ARECQLCYP2C9NAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION 2015-01-01 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-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 IL17A, IL15, IL2 MEN1 1132/4885KMT2A 3399/4885MTNR1A 1954/4885

“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.