SCHEMBL19700417

SCHEMBL19700417

CC(C)/N=C\N(Cc1ccccc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRK1 P41145 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
AOC3 Q16853 2/20 0.38
G6PC1 P35575 2/20 0.37
HPGD P15428 1/20 0.36
RORC P51449 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL19776798 0.76 TSHR (0.45) TSHRMEN1KMT2AALDH1A1SLC6A2
SCHEMBL3251403 0.76 TSHR (0.45) TSHRMEN1KMT2AALDH1A1SLC6A2
SCHEMBL2046868 0.76 MEN1 (0.49) TSHRMEN1KMT2AALDH1A1SLC6A2
Hydrochloric Acid SCHEMBL9876959 0.74 TSHR (0.43) TSHRMEN1KMT2AALDH1A1SLC6A2
Methylhydrazine SCHEMBL28151890 0.69 MEN1 (0.46) TSHRMEN1KMT2AALDH1A1SLC6A2
SCHEMBL3635237 0.68 TSHR (0.54) TSHRMEN1KMT2AALDH1A1SLC6A2
SCHEMBL608453 0.68 TSHR (0.54) TSHRMEN1KMT2AALDH1A1SLC6A2
SCHEMBL6254423 0.67 MAOB (0.46) MEN1KMT2AALDH1A1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL27658035 0.66 TSHR (0.52) TSHRMEN1KMT2AALDH1A1SLC6A2
SCHEMBL530326 0.66 ADRA2B (0.67) TSHRMEN1KMT2AALDH1A1SLC6A2

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-20170355708-A1 POTASSIUM CHANNEL MODULATORS CADENT THERAPEUTICS, INC. 2017-12-14 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-20170355708-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 TSHR 2859/4885MEN1 1414/4885KMT2A 1658/4885

“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.