SCHEMBL17997016

SCHEMBL17997016

Cc1nc(Cl)nc(OCCOCCOCCOCCOCCO)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.33
TSHR P16473 2/20 0.33
PDE10A Q9Y233 1/20 0.33
LMNA P02545 2/20 0.33
KCNJ5 P48544 4/20 0.32
KCNJ3 P48549 4/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
APP P05067 5/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CASP1 P29466 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLCO1B3 Q9NPD5 1/20 0.31
SLCO1B1 Q9Y6L6 1/20 0.31
SLC29A1 Q99808 1/20 0.30

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
SCHEMBL18470128 1.00 MEN1 (0.37) MEN1KMT2AMAPK1TSHRPDE10A
SCHEMBL17997013 0.91
SCHEMBL17564558 0.88 MEN1 (0.44) MEN1KMT2AMAPK1TSHRPDE10A
SCHEMBL18470127 0.88 MEN1 (0.44) MEN1KMT2AMAPK1TSHRPDE10A
SCHEMBL13934335 0.83 NCF1 (0.33)
SCHEMBL19227229 0.80 MEN1 (0.37) MEN1KMT2AMAPK1TSHRAPP
SCHEMBL12393233 0.79 TSHR (0.35) TSHR
SCHEMBL6271267 0.78 ALDH1A1 (0.40) MAPK1TSHRALDH1A1
SCHEMBL11136043 0.78 ALDH1A1 (0.40) MAPK1TSHRALDH1A1
SCHEMBL15247491 0.77 PDE10A (0.38) PDE10AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828540-B2 Compositions for treating subterranean formations HALLIBURTON ENERGY SERVICES, INC. (US) 2017-11-28 US disclosed
US-20160230066-A1 COMPOSITIONS FOR TREATING SUBTERRANEAN FORMATIONS HALLIBURTON ENERGY SERVICES, INC. 2016-08-11 US disclosed
US-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY 2015-12-03 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-20150344437-A1 PYRAZOLONE DERIVATIVES AS NITROXYL DONORS TNNI3, PFKP, NOX5 MEN1 3991/4885KMT2A 4665/4885MAPK1 3982/4885

“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.