SCHEMBL22064352

SCHEMBL22064352

C/C=N/Cc1ccc(CN)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.44
LOXL2 Q9Y4K0 7/20 0.42
NOS3 P29474 3/20 0.42
NOS1 P29475 3/20 0.42
NOS2 P35228 3/20 0.42
ABAT P80404 1/20 0.41
TAAR1 Q96RJ0 1/20 0.38
PSIP1 O75475 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
F10 P00742 1/20 0.35
F11 P03951 1/20 0.35
PNMT P11086 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 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
SCHEMBL23373021 0.88 CA2 (0.33) NOS3NOS1NOS2ALDH1A1SMN1; SMN2
SCHEMBL22030058 0.79 IDO1 (0.42) TAAR1ALDH1A1SMN1; SMN2CA12CA1
SCHEMBL12267863 0.76 MAPT (0.44) NOS2ALDH1A1CYP3A4SMN1; SMN2CA1
SCHEMBL6655731 0.76 MAPT (0.44) NOS2ALDH1A1CYP3A4SMN1; SMN2CA1
SCHEMBL6655726 0.76 MAPT (0.44) NOS2ALDH1A1CYP3A4SMN1; SMN2CA1
Hydrochloric Acid SCHEMBL27817869 0.74 MAPT (0.43) NOS2ALDH1A1CYP3A4SMN1; SMN2CA1
SCHEMBL19677822 0.74 GRIN2D (0.43) NOS3NOS1NOS2ALDH1A1CYP3A4
SCHEMBL15828 0.71 HRH3 (0.79) HRH3LOXL2NOS3NOS1NOS2
SCHEMBL27238704 0.71 HRH3 (0.79) HRH3LOXL2NOS3NOS1NOS2
Benzylamine SCHEMBL28245162 0.70 LOXL2 (0.52) LOXL2NOS3NOS1NOS2TAAR1

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-20200181122-A1 Degradable Imidazolium Oligomer and Polymer for Antimicrobial Applications AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2020-06-11 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-20200181122-A1 Degradable Imidazolium Oligomer and Polymer for Antimicrobial Applications NOD2, CFTR, PUF60 HRH3 3346/4885LOXL2 1221/4885NOS3 307/4885

“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.