SCHEMBL1730828

SCHEMBL1730828

CC(=O)c1cc([N+](=O)[O-])c(O)c(C(C)(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
GALR3 O60755 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GPR35 Q9HC97 5/20 0.49
TTR P02766 3/20 0.42
ABCC3 O15438 1/20 0.42
ABCC4 O15439 1/20 0.42
NR1I2 O75469 1/20 0.42
ABCB11 O95342 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
RARB P10826 1/20 0.42
COMT P21964 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADORA1 P30542 1/20 0.42

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
SCHEMBL30792072 0.87 TPMT (0.55) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL30792131 0.84 VCAM1 (0.52) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL11799631 0.84 GPR35 (0.61) GPR35TTRABCC3ABCC4NR1I2
SCHEMBL47718 0.80 SMN1; SMN2 (0.59) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL1730836 0.80 ALDH1A1 (0.55) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL6036460 0.80 TTR (0.62) MEN1KMT2AGPR35TTRABCC3
Dinoterb SCHEMBL11379609 0.79 KMT2A (0.70) SMN1; SMN2MEN1GALR3HTTKMT2A
SCHEMBL12326836 0.79 MAPT (0.51) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL4297256 0.78 GPR35 (0.61) SMN1; SMN2KMT2AGPR35TTRABCC3
SCHEMBL17500084 0.78 GPR35 (0.69) SMN1; SMN2MEN1GALR3HTTKMT2A

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 14 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-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-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
WO-2011140936-A1 5,5-DISUBSTITUTED-2-IMINO-PYRROLIDINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL USES THEREOF 上海恒瑞医药有限公司 (CN) 2011-11-17 WO 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 SMN1; SMN2 2355/4885MEN1 891/4885GALR3 1261/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 SMN1; SMN2 2369/4885MEN1 859/4885GALR3 1265/4885

“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.