SCHEMBL1729022

SCHEMBL1729022

COc1cc(Br)c(Br)c(F)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CA2 P00918 4/20 0.48
CA4 P22748 4/20 0.48
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ACHE P22303 1/20 0.41
ERN1 O75460 1/20 0.41
TSHR P16473 1/20 0.41
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CYP3A4 P08684 1/20 0.40
CA9 Q16790 1/20 0.40
TUBB1 Q9H4B7 3/20 0.40
CA1 P00915 3/20 0.40
CA6 P23280 3/20 0.40
NQO2 P16083 2/20 0.40
PTPN1 P18031 1/20 0.39
PRKDC P78527 1/20 0.38

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
SCHEMBL1731146 0.83 NCOA1 (0.48) MAPTNPSR1CA2CA4TSHR
SCHEMBL28870388 0.80 CA2 (0.67) MAPTNPSR1CA2CA4POLB
SCHEMBL531860 0.77 POLB (0.37) MAPTPOLBL3MBTL1ACHETSHR
SCHEMBL19453679 0.77 PRKDC (0.55) MAPTERN1TSHRCYP3A4TUBB1
SCHEMBL10209878 0.77 TSHR (0.50) MAPTCA2CA4POLBL3MBTL1
SCHEMBL3155331 0.76 CA2 (0.54) MAPTNPSR1CA2CA4POLB
SCHEMBL23900009 0.74 MAPT (0.47) MAPTNPSR1CA2CA4POLB
SCHEMBL4574409 0.72 TUBB1 (0.41) MAPTCA2CA4L3MBTL1ERN1
SCHEMBL31096136 0.72 TUBB1 (0.41) MAPTCA2CA4L3MBTL1ERN1
SCHEMBL624239 0.72 ALOX5AP (0.46) MAPTACHEERN1TSHRAPOBEC3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385039-B1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists EISAI R&D MAN CO LTD (JP) 2014-03-12 EP disclosed
EP-1614680-B1 Process for preparing 2-iminopyrrolidine derivatives EISAI R&D MAN CO LTD (JP) 2011-12-21 EP disclosed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
EP-2385039-A1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists Eisai R&D Management Co., Ltd. (JP) 2011-11-09 EP disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US 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
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 MAPT 3483/4885NPSR1 1875/4885CA2 206/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 MAPT 3440/4885NPSR1 1897/4885CA2 201/4885

“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.