SCHEMBL5488310

SCHEMBL5488310

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1cccc(-c3ccccc3)c1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KDM4E B2RXH2 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.42
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CREBBP Q92793 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 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
Bromide SCHEMBL1730853 0.92 MAPT (0.51) MAPTKDM4ERAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1729176 0.86 MAPT (0.45) MAPTKDM4ERAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1729276 0.86 MAPT (0.41) MAPTKDM4ERAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1729892 0.86 MAPT (0.39) MAPTKDM4ERAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1731550 0.85 MAPT (0.40) MAPTKDM4ERAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL1731062 0.84 MAPT (0.39) MAPTKDM4ERAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1730972 0.84 MAPT (0.47) MAPTKDM4ERAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1730979 0.83 KDM4E (0.41) MAPTKDM4ERAB9ASMN1; SMN2NPC1
Bromide SCHEMBL1729589 0.83 MAPT (0.41) MAPTKDM4ERAB9ASMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL1731436 0.82 MAPT (0.38) MAPTKDM4ERAB9ASMN1; SMN2NPC1

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 3 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

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 MAPT 3483/4885KDM4E 3161/4885RAB9A 429/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 MAPT 3440/4885KDM4E 3132/4885RAB9A 418/4885

“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.