SCHEMBL1729404

SCHEMBL1729404

CNC(=O)c1cc2c(cc1N(C)C)CN(CC(=O)c1ccc(NCC(=O)OC(=O)C(F)(F)F)c(C(C)(C)C)c1)C2=N

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32

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
Trifluoroacetic Acid SCHEMBL1729403 0.89 KDM4E (0.34) KDM4ENPC1MAPTRAB9A
SCHEMBL1730951 0.88 F2R (0.38) KDM4ENPC1MAPTRAB9A
Bromide SCHEMBL5493348 0.88 KDM4E (0.36) KDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731487 0.81 KDM4E (0.33) KDM4ENPC1MAPTRAB9A
SCHEMBL1729512 0.80 F2R (0.40)
Bromide SCHEMBL1732469 0.79 KDM4E (0.37) KDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1731328 0.79 KDM4E (0.37) KDM4ENPC1MAPTRAB9A
SCHEMBL14449030 0.79 F2R (0.38) KDM4ENPC1MAPTRAB9A
SCHEMBL14449149 0.79 KDM4E (0.35) KDM4ENPC1MAPTRAB9A
Bromide SCHEMBL1730444 0.78 F2R (0.37) KDM4ENPC1MAPTRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 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 (2 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-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 KDM4E 3161/4885NPC1 4243/4885MAPT 3483/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 KDM4E 3132/4885NPC1 4254/4885MAPT 3440/4885

“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.