SCHEMBL10072797

SCHEMBL10072797

CCc1c(NC(C)=O)cccc1NC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 2/20 0.53
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 2/20 0.47
MAOA P21397 1/20 0.47
POLB P06746 2/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NR4A1 P22736 1/20 0.46
PKM P14618 1/20 0.45
BRD4 O60885 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL3940043 0.90 MAPK1 (0.50) MAPK1ALDH1A1HPGDTSHRRAB9A
SCHEMBL8547885 0.89 MAPK1 (0.49) MAPK1ALDH1A1HPGDTSHRRAB9A
SCHEMBL9608995 0.87 PKM (0.57) MAPK1ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL9214730 0.87 MAPK1 (0.47) MAPK1ALDH1A1HPGDTSHRRAB9A
SCHEMBL24603810 0.87 ALDH1A1 (0.48) MAPK1ALDH1A1HPGDTSHRRAB9A
SCHEMBL22289678 0.84 SIRT2 (0.51) MAPK1ALDH1A1HPGDTSHRRAB9A
SCHEMBL9686952 0.83 ALDH1A1 (0.53) MAPK1ALDH1A1HPGDTSHRRAB9A
SCHEMBL12408064 0.82 MAPT (0.51) MAPK1ALDH1A1HPGDRAB9ANPC1
SCHEMBL11873517 0.79 HSD17B10 (0.43) MAPK1ALDH1A1HPGDTSHRRAB9A
SCHEMBL29595480 0.79 HSD17B10 (0.43) MAPK1ALDH1A1HPGDTSHRRAB9A

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-20120077990-A1 Alkene Aziridination NATIONAL SCIENCE FOUNDATION 2012-03-29 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-20120077990-A1 Alkene Aziridination AZI2, PPOX, GLI2 MAPK1 3037/4885ALDH1A1 890/4885HPGD 3026/4885

“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.