SCHEMBL19770321

SCHEMBL19770321

C/C(N)=N/C(N)=N/CCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.74
TSHR P16473 3/20 0.74
LMNA P02545 2/20 0.74
SLC22A2 O15244 1/20 0.74
SLC22A1 O15245 1/20 0.74
ADRA2A P08913 1/20 0.74
CYP2D6 P10635 1/20 0.74
ADRA2B P18089 1/20 0.74
SLC6A2 P23975 1/20 0.74
ADRA1A P35348 1/20 0.74
HTR2B P41595 1/20 0.74
SLC6A3 Q01959 1/20 0.74
PDE3A Q14432 1/20 0.74
SMN1; SMN2 Q16637 3/20 0.72
MAPT P10636 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
GRIN1 Q05586 3/20 0.56
GRIN2B Q13224 3/20 0.56
HTR3A P46098 2/20 0.50
NOS2 P35228 1/20 0.50

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
SCHEMBL28524333 1.00 HIF1A (0.74) HIF1ATSHRLMNASLC22A2SLC22A1
Phenformin SCHEMBL136512 0.85 LMNA (1.00) HIF1ATSHRLMNASLC22A2SLC22A1
Phenformin SCHEMBL8425 0.85 LMNA (1.00) HIF1ATSHRLMNASLC22A2SLC22A1
Phenformin SCHEMBL10325620 0.85 LMNA (1.00) HIF1ATSHRLMNASLC22A2SLC22A1
Phenformin SCHEMBL787929 0.82 LMNA (0.93) HIF1ATSHRLMNASLC22A2SLC22A1
SCHEMBL23366564 0.79 TSHR (0.69) HIF1ATSHRLMNASLC22A2SLC22A1
[11C]Phenethylguanidine SCHEMBL837645 0.77 HTR3A (0.80) HIF1ATSHRLMNASLC22A2SLC22A1
SCHEMBL5839538 0.73 HIF1A (0.65) HIF1ATSHRLMNASLC22A2SLC22A1
Hydrochloric Acid SCHEMBL10876994 0.72 HIF1A (0.62) HIF1ATSHRLMNASLC22A2SLC22A1
SCHEMBL21966469 0.72 ALDH1A1 (0.53) HIF1ATSHRLMNASLC22A2SLC22A1

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-20180015056-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING GROWTH OF CANCER STEM CELLS, CONTAINING ALDEHYDE INHIBITOR AND BIGUANIDE-BASED COMPOUND INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2018-01-18 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-20180015056-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING GROWTH OF CANCER STEM CELLS, CONTAINING ALDEHYDE INHIBITOR AND BIGUANIDE-BASED COMPOUND ALDH2, ALDH1A1, MKI67 HIF1A 476/4885TSHR 4668/4885LMNA 4597/4885

“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.