SCHEMBL7076403

SCHEMBL7076403

CCNC(=O)NNC(=O)N(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP3 P08254 2/20 0.32
MMP8 P22894 2/20 0.32
MMP9 P14780 1/20 0.32
ABCC1 P33527 1/20 0.32
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
MCL1 Q07820 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
SCHEMBL17120970 0.81 MMP1 (0.43) ALDH1A1GAASMN1; SMN2MMP1MMP2
SCHEMBL6611368 0.80 CHRNB2 (0.35) ALDH1A1GAASMN1; SMN2MMP1MMP2
SCHEMBL969221 0.79 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2LMNAMMP1
SCHEMBL3934067 0.79 ALDH1A1 (0.43) ALDH1A1GAASMN1; SMN2LMNAMMP1
SCHEMBL3267958 0.75 LMNA (0.37) ALDH1A1SMN1; SMN2LMNAMMP1MMP2
SCHEMBL4420293 0.73 CA12 (0.44) ALDH1A1SMN1; SMN2LMNAMMP1MMP2
SCHEMBL9379383 0.72 ALDH1A1 (0.38) ALDH1A1GAASMN1; SMN2MMP1MMP2
SCHEMBL2605837 0.72 ALDH1A1 (0.38) ALDH1A1GAASMN1; SMN2MMP1MMP2
SCHEMBL28141911 0.72 ALDH1A1 (0.42) ALDH1A1GAASMN1; SMN2MMP1MMP2
SCHEMBL9475754 0.70 ALDH1A1 (0.41) ALDH1A1GAALMNAMMP1MMP2

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-20030212269-A1 4.5-disubstituted-2-aminopyrimidines DAVIS JEREMY MARTIN (GB) 2003-11-13 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-20030212269-A1 4.5-disubstituted-2-aminopyrimidines FLT1, FGFR1, FLT4 ALDH1A1 3209/4885GAA 3579/4885SMN1; SMN2 3803/4885

“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.