SCHEMBL24712901

SCHEMBL24712901

CNC(=O)CNC(=N)NC(=N)NCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MMP1 P03956 1/20 0.36
MMP8 P22894 1/20 0.36
HPGD P15428 4/20 0.33
RECQL P46063 1/20 0.32
MAPT P10636 3/20 0.32
EPHX1 P07099 2/20 0.32
GAA P10253 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 2/20 0.31
USP2 O75604 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 3/20 0.30
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30

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
SCHEMBL12709660 0.77 EPHX1 (0.47) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL22175211 0.76 MCL1 (0.36) MMP1EPHX1KMT2AHSD17B10SMN1; SMN2
SCHEMBL14177603 0.76 ALDH1A1 (0.36) LMNAALDH1A1
SCHEMBL20711353 0.76 CYP2D6 (0.45) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL4110666 0.74
SCHEMBL21594697 0.73
SCHEMBL1273245 0.71 CYP2D6 (0.50) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL18748197 0.70
SCHEMBL17740186 0.70 CYP2D6 (0.52) CYP2D6CYP2C19MMP1MMP8HPGD
SCHEMBL18743848 0.70 CYP2D6 (0.41) CYP2D6CYP2C19MMP1MMP8HPGD

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-20220362238-A1 BILE ACID RECYCLING INHIBITORS AND SATIOGENS FOR TREATMENT OF DIABETES, OBESITY, AND INFLAMMATORY GASTROINTESTINAL CONDITIONS SATIOGEN PHARMACEUTICALS, INC. 2022-11-17 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-20220362238-A1 BILE ACID RECYCLING INHIBITORS AND SATIOGENS FOR TREATMENT OF DIABETES, OBESITY, AND INFLAMMATORY GASTROINTESTINAL CONDITIONS SLC10A2, GPR119, GPBAR1 CYP2D6 3207/4885CYP2C19 2587/4885MMP1 2123/4885

“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.