SCHEMBL14645141

SCHEMBL14645141

O=c1[nH][nH]c(=O)n1CCCCCCCCCCCCn1c(=O)[nH][nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.36
FAAH O00519 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HTT P42858 2/20 0.36
HSP90AA1 P07900 1/20 0.36
TLR9 Q9NR96 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR35 Q9HC97 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
MAPK10 P53779 1/20 0.34

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
SCHEMBL11234475 1.00 MGLL (0.36) MGLLFAAHMAPTALDH1A1NPSR1
SCHEMBL11056703 0.88 MAPK10 (0.47) MGLLFAAHMAPTHTTLMNA
SCHEMBL10956567 0.88 MAPK10 (0.47) MGLLFAAHMAPTHTTLMNA
SCHEMBL11499316 0.85 MAPK10 (0.45) MGLLFAAHMAPTALDH1A1HTT
SCHEMBL14645247 0.85 TDP1 (0.36)
SCHEMBL14645249 0.84 APEX1 (0.32)
Hydrochloric Acid SCHEMBL14645251 0.83 TDP1 (0.37)
SCHEMBL9473364 0.81 MAPT (0.47) MAPTALDH1A1LMNATP53ADORA2B
SCHEMBL7339728 0.81 ADORA2B (0.30) ADORA2B
SCHEMBL14645209 0.79 MGLL (0.67) MGLLFAAHMAPTALDH1A1NPSR1

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-9149541-B2 Tyrosine ligation process NOVARTIS AG (CH) 2015-10-06 US disclosed
US-20140141034-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2014-05-22 US disclosed
EP-2729178-A1 TYROSINE LIGATION PROCESS Novartis AG (CH) 2014-05-14 EP disclosed
WO-2013009564-A1 TYROSINE LIGATION PROCESS NOVARTIS AG (CH) 2013-01-17 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-20140141034-A1 TYROSINE LIGATION PROCESS ACP1, LTK, TTL MGLL 327/4885FAAH 3621/4885MAPT 2609/4885

“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.