SCHEMBL5486504

SCHEMBL5486504

CC(C)(C)[Si](OCc1ccc(Cl)nc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 2/20 0.39
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TERT O14746 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL17288268 0.86 GAA (0.39) NLRP3MAPTGAAKDM4EL3MBTL1
SCHEMBL3598538 0.83 GABRP (0.40) KDM4E
SCHEMBL1730850 0.83 TRPV6 (0.33)
SCHEMBL14449077 0.82 KDM1A (0.41) MAPTALDH1A1NPC1RAB9AKDM1A
SCHEMBL5487616 0.82 KMT2A (0.36) MAPTKMT2AMEN1
SCHEMBL5490136 0.81 KDM4E (0.31) KDM4EL3MBTL1
SCHEMBL1314001 0.80 AGXT (0.42) MAPTL3MBTL1ALDH1A1MAOBTAAR1
SCHEMBL1728926 0.80 MEN1 (0.33) NLRP3MAPTKDM4EL3MBTL1ALDH1A1
SCHEMBL1729767 0.80 P4HTM (0.48) MAPTKDM4EL3MBTL1ALDH1A1POLB
SCHEMBL3599859 0.79 LOX (0.41) ALDH1A1NPC1

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
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
EP-1391451-A1 2-IMINOPYRROLIDINE DERIVATES Eisai Co., Ltd. (JP) 2004-02-25 EP 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 NLRP3 1976/4885MAPT 3483/4885GAA 4867/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 NLRP3 1945/4885MAPT 3440/4885GAA 4868/4885

“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.