SCHEMBL16755652

SCHEMBL16755652

CN(C)CCNC(=N)c1ccc(C=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2A6 P11509 1/20 0.38
CYP2A13 Q16696 1/20 0.38
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
ESR1 P03372 1/20 0.37
SETD7 Q8WTS6 1/20 0.37
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.35
USP2 O75604 1/20 0.35
NAMPT P43490 1/20 0.34
GLA P06280 1/20 0.34
SLC22A2 O15244 1/20 0.34
SLC22A1 O15245 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4495601 0.83 ALDH1A1 (0.60) ALDH1A1MAPK1HTTSMN1; SMN2EPHX2
SCHEMBL15297183 0.76 HPGD (0.51) ALDH1A1SMN1; SMN2HPGDNAMPT
SCHEMBL17208800 0.74 HPGD (0.65) ALDH1A1HTTSMN1; SMN2EPHX2NR1H4
SCHEMBL7724232 0.74 PRMT1 (0.45) ALDH1A1MAPK1HTTSMN1; SMN2SETD7
SCHEMBL19486225 0.72 ALDH1A1 (0.55) ALDH1A1MAPK1HTTSMN1; SMN2ESR1
SCHEMBL19489497 0.72 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2ESR1MAPTGLA
SCHEMBL16360747 0.72 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2ESR1MAPT
SCHEMBL3694813 0.71 CYP2A6 (0.44) ALDH1A1MAPK1CYP2A6CYP2A13ALDH3A1
SCHEMBL17967822 0.71 CASP2 (0.58) ALDH1A1LMNATSHRCYP2C19
SCHEMBL6205353 0.70 MCHR1 (0.45) ALDH1A1SMN1; SMN2CYP2A6CYP2A13EPHX2

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-20150150893-A1 ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION LIAONING LIFENG SCIENT & TECHNOLOGY DEV COMPANY LTD (CN) 2015-06-04 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-20150150893-A1 ANDROGRAPHOLIDE ANALOGS AND THEIR USE FOR MEDICATION CYP11B1, CYP51A1, CYP11B2 ALDH1A1 577/4885MAPK1 1370/4885HTT 2872/4885

“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.