SCHEMBL24324205

SCHEMBL24324205

O=C(NCCCN1CCOCC1)C(=O)NC[C@H]1NCCCO1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.65
LMNA P02545 3/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 2/20 0.53
RAB9A P51151 2/20 0.52
POLB P06746 2/20 0.48
EPHX1 P07099 1/20 0.47
TP53 P04637 1/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.45
DUSP3 P51452 1/20 0.45
MAPK1 P28482 1/20 0.44
HIF1A Q16665 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
SCHEMBL24322421 0.93 PKM (0.55) PKMLMNAKDM4EGAARAB9A
SCHEMBL24322428 0.93 PKM (0.61) PKMLMNAKDM4EGAARAB9A
SCHEMBL13655375 0.79 LMNA (0.84) PKMLMNAKDM4EGAARAB9A
SCHEMBL24322783 0.74 PKM (0.53) PKMLMNAKDM4EGAARAB9A
SCHEMBL24322388 0.74 RAB9A (0.51) KDM4ERAB9AALDH1A1KMT2ANPC1
SCHEMBL29497614 0.70 GAA (1.00) PKMLMNAKDM4EGAARAB9A
SCHEMBL24322620 0.70 SMN1; SMN2 (0.44) GAARAB9APOLBEPHX1ALDH1A1
SCHEMBL8587098 0.70 LMNA (0.68) PKMLMNAKDM4EGAARAB9A
SCHEMBL17817601 0.70 LMNA (0.68) PKMLMNAKDM4EGAARAB9A
SCHEMBL2347336 0.70 GAA (0.70) LMNAKDM4EGAARAB9APOLB

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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 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-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN PKM 4535/4885LMNA 1889/4885KDM4E 4426/4885

“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.