SCHEMBL16627088

SCHEMBL16627088

CCCCNC(=O)Cc1c(C)nc2ccccc2c1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.65
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 4/20 0.49
MAPT P10636 2/20 0.47
PRNP P04156 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 2/20 0.46
HTT P42858 2/20 0.46
HCRTR1 O43613 1/20 0.46
TP53 P04637 1/20 0.46
ACP1 P24666 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 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
SCHEMBL17954334 0.97 SMN1; SMN2 (0.64) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL18027829 0.80 SMN1; SMN2 (0.67) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL16627109 0.80 CYP1A2 (0.47) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL16624662 0.80 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL17955296 0.80 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL17955253 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2ALMNAKDM4E
Hydrochloric Acid SCHEMBL31658237 0.79 SMN1; SMN2 (0.97) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL17955306 0.78 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL23365654 0.77 SMN1; SMN2 (0.79) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL16627089 0.77 MTNR1A (0.45) SMN1; SMN2KDM4EMAPTPRNPALDH1A1

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-10227588-B2 3′end caps for RNAi agents for use in RNA interference NOVARTIS AG (CH) 2019-03-12 US disclosed
WO-2015051044-A2 NOVEL FORMATS FOR ORGANIC COMPOUNDS FOR USE IN RNA INTERFERENCE NOVARTIS AG (CH) 2015-04-09 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-10227588-B2 3′end caps for RNAi agents for use in RNA interference RNGTT, NSUN2, NSUN3 SMN1; SMN2 2037/4885MEN1 3606/4885KMT2A 2438/4885

“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.