SCHEMBL17739999

SCHEMBL17739999

CCCCCNC(=O)CCCCCNC(=O)C1CCC(CN2C(=O)C=CC2=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GNAI3 P08754 3/20 0.45
GNAO1 P09471 3/20 0.45
GNAI1 P63096 3/20 0.45
PRCP P42785 2/20 0.45
LMNA P02545 1/20 0.43
CASP2 P42575 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL19703683 0.96 SMN1; SMN2 (0.43) NAAASMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL2779228 0.93 NAAA (0.55) NAAASMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL14872066 0.93 NAAA (0.55) NAAASMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL11990499 0.92 SMN1; SMN2 (0.53) NAAASMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL21659263 0.89 NAMPT (0.42) NAAASMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL28823421 0.89 SMN1; SMN2 (0.51) NAAASMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL4761616 0.89 SMN1; SMN2 (0.49) NAAASMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL19703687 0.89 SMN1; SMN2 (0.38) NAAASMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL19703588 0.89 CNR1 (0.38) NAAASMN1; SMN2GNAI3GNAO1GNAI1
SCHEMBL23347014 0.88 SMN1; SMN2 (0.43) NAAASMN1; SMN2GNAI3GNAO1GNAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS INSTITUTE FOR FUNCTIONAL GENOMICS, INC., DBA GENOMICS INSTITUTE OF THE NOVARTIS RESEARCH FOUNDATION 2017-12-14 US disclosed
WO-2016071856-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE NOVARTIS AG (CH) 2016-05-12 WO 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-20170355731-A1 AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE RNGTT, RNASE1, RNMT NAAA 1609/4885SMN1; SMN2 2500/4885GNAI3 1253/4885

“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.