SCHEMBL29644833

SCHEMBL29644833

NC(=O)CNCc1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.66
CYP1A2 P05177 3/20 0.65
CYP2D6 P10635 1/20 0.65
CHRM2 P08172 1/20 0.54
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CYP2C9 P11712 2/20 0.53
MAPT P10636 1/20 0.53
FES P07332 1/20 0.51
RET P07949 1/20 0.51
MARK3 P27448 1/20 0.51
TYK2 P29597 1/20 0.51
FLT4 P35916 1/20 0.51
SYK P43405 1/20 0.51
CLK2 P49760 1/20 0.51
CLK4 Q9HAZ1 1/20 0.51
USP2 O75604 2/20 0.50
GAA P10253 1/20 0.50
CYP2C19 P33261 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
SCHEMBL1815219 1.00 RECQL (0.66) RECQLCYP1A2CYP2D6CHRM2ALDH1A1
SCHEMBL2006175 0.85 CYP1A2 (0.67) RECQLCYP1A2CYP2D6CHRM2ALDH1A1
SCHEMBL29653592 0.85 CYP1A2 (0.67) RECQLCYP1A2CYP2D6CHRM2ALDH1A1
SCHEMBL3398316 0.85 CYP1A2 (0.67) RECQLCYP1A2CYP2D6CHRM2ALDH1A1
SCHEMBL4462447 0.84 RECQL (0.54) RECQLCYP1A2CYP2D6CYP3A4CYP2C9
SCHEMBL14189533 0.83 CYP1A2 (0.65) RECQLCYP1A2CYP2D6CHRM2ALDH1A1
SCHEMBL423358 0.82 CYP1A2 (0.62) RECQLCYP1A2CYP2D6CHRM2ALDH1A1
SCHEMBL2861457 0.80 CYP1A2 (1.00) RECQLCYP1A2CYP2D6CHRM2ALDH1A1
SCHEMBL24996969 0.80 CYP1A2 (0.59) RECQLCYP1A2CYP2D6CHRM2ALDH1A1
SCHEMBL13154263 0.80 CYP1A2 (0.59) RECQLCYP1A2CYP2D6CHRM2ALDH1A1

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-20220135547-A1 HETEROCYCLIC LOW-MOLECULAR SAPP MIMETICS, A PHARMACEUTICAL COMPOSITION AND METHODS FOR PRODUCING AND USING SAME NENAYDENOV VALENTIN G (RU) 2022-05-05 US claimed

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-20220135547-A1 HETEROCYCLIC LOW-MOLECULAR SAPP MIMETICS, A PHARMACEUTICAL COMPOSITION AND METHODS FOR PRODUCING AND USING SAME APP, IAPP, BDNF RECQL 2477/4885CYP1A2 4806/4885CYP2D6 4873/4885

“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.