SCHEMBL18806402

SCHEMBL18806402

CNC(Cc1ncc[nH]1)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.41
TAAR1 Q96RJ0 8/20 0.40
TBXAS1 P24557 2/20 0.40
HTR1A P08908 1/20 0.40
FPR2 P25090 1/20 0.37
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TERT O14746 1/20 0.36
ALOX15 P16050 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4688922 0.87 TBXAS1 (0.43) FDPSTAAR1TBXAS1HTR1AFPR2
SCHEMBL4688926 0.87 TBXAS1 (0.43) FDPSTAAR1TBXAS1HTR1AFPR2
SCHEMBL12085920 0.86 FPR2 (0.39) FDPSTAAR1TBXAS1HTR1AFPR2
SCHEMBL12590256 0.86 FPR2 (0.39) FDPSTAAR1TBXAS1HTR1AFPR2
SCHEMBL3337299 0.77 FDPS (0.42) FDPSTAAR1TBXAS1HTR1AFPR2
SCHEMBL4123697 0.75 TBXAS1 (0.38) FDPSTAAR1TBXAS1HTR1AFPR2
SCHEMBL17966702 0.74 TAAR1 (0.47) TAAR1HTR1ATERTALOX15
SCHEMBL18458210 0.74 TAAR1 (0.37) FDPSTAAR1TBXAS1HTR1AFPR2
SCHEMBL4123703 0.74 TBXAS1 (0.37) FDPSTAAR1TBXAS1HTR1AFPR2
SCHEMBL14194797 0.73 TBXAS1 (0.41) FDPSTAAR1TBXAS1HTR1AFPR2

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-20170119907-A1 Targeted Therapeutics MEDIVATION TECHNOLOGIES, INC. (US) 2017-05-04 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-20170119907-A1 Targeted Therapeutics ANXA3, ANXA5, ANXA6 FDPS 3557/4885TAAR1 3546/4885TBXAS1 4831/4885

“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.