SCHEMBL22984976

SCHEMBL22984976

ONNCCCC(O)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
EPHX2 P34913 3/20 0.44
CYP17A1 P05093 1/20 0.42
TBXAS1 P24557 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ADRB1 P08588 5/20 0.40
ADRB2 P07550 4/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADRB3 P13945 5/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
CFTR P13569 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
GOPC Q9HD26 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL5470982 0.83 HTR2A (0.50) SMN1; SMN2EPHX2TBXAS1ADRB1ADRB2
SCHEMBL16198513 0.83 HTR2A (0.50) SMN1; SMN2EPHX2TBXAS1ADRB1ADRB2
SCHEMBL29662193 0.83 HTR2A (0.50) SMN1; SMN2EPHX2TBXAS1ADRB1ADRB2
SCHEMBL29662238 0.83 HTR2A (0.50) SMN1; SMN2EPHX2TBXAS1ADRB1ADRB2
SCHEMBL29662201 0.83 HTR2A (0.50) SMN1; SMN2EPHX2TBXAS1ADRB1ADRB2
SCHEMBL16198555 0.83 HTR2A (0.50) SMN1; SMN2EPHX2TBXAS1ADRB1ADRB2
Hydrochloric Acid SCHEMBL28779678 0.81 HTR2A (0.49) SMN1; SMN2EPHX2TBXAS1ADRB1ADRB2
Hydrochloric Acid SCHEMBL29662293 0.81 HTR2A (0.49) SMN1; SMN2EPHX2TBXAS1ADRB1ADRB2
Hydrochloric Acid SCHEMBL28779675 0.81 HTR2A (0.49) SMN1; SMN2EPHX2TBXAS1ADRB1ADRB2
SCHEMBL2577931 0.78 SMN1; SMN2 (0.52) SMN1; SMN2EPHX2CYP17A1TBXAS1LMNA

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-10918687-B2 Kava derived therapeutic compounds and methods of use thereof KUALITY HERBCEUTICS LLC (US) 2021-02-16 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-10918687-B2 Kava derived therapeutic compounds and methods of use thereof KLK5, KLK4, KLK2 SMN1; SMN2 2154/4885EPHX2 2445/4885CYP17A1 289/4885

“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.