SCHEMBL5490666

SCHEMBL5490666

CC(C)(C)c1cc(C(=O)CN2Cc3ccc(C(=O)O)cc3C2=N)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
F2R P25116 12/20 0.45
NPC1 O15118 1/20 0.45
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.37
BCHE P06276 1/20 0.36
MAOA P21397 1/20 0.36
ACHE P22303 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 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
Hydrochloric Acid SCHEMBL1729108 0.99 KDM4E (0.50) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1730571 0.89 F2R (0.46) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1729353 0.88 KDM4E (0.46) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1730470 0.88 KDM4E (0.44) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1730478 0.88 KDM4E (0.49) KDM4EMAPTRAB9ASMN1; SMN2F2R
Hydrochloric Acid SCHEMBL1730823 0.88 KDM4E (0.45) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1730702 0.87 F2R (0.48) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1731586 0.86 KDM4E (0.45) KDM4EMAPTRAB9ASMN1; SMN2F2R
SCHEMBL12662700 0.86 RARA (0.43) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1731362 0.86 KDM4E (0.43) KDM4EMAPTRAB9ASMN1; SMN2F2R

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