SCHEMBL1730467

SCHEMBL1730467

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TPMT P51580 1/20 0.36
MAOB P27338 1/20 0.36
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GALR3 O60755 1/20 0.33
ESR1 P03372 1/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1731316 0.84 ALDH1A1 (0.43) ALDH1A1TSHRTDP1TPMTMAOB
SCHEMBL1730836 0.81 ALDH1A1 (0.55) ALDH1A1TSHRTDP1TPMTLMNA
SCHEMBL1730828 0.74 SMN1; SMN2 (0.53) ALDH1A1TDP1TPMTLMNAMAPT
SCHEMBL8008640 0.72 RXRA (0.44) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL8000062 0.71 RXRA (0.46) LMNAL3MBTL1HPGDGAANPSR1
SCHEMBL29240575 0.70 TPMT (0.61) ALDH1A1TSHRTPMTLMNAMAPT
SCHEMBL8000079 0.70 THRA (0.47) L3MBTL1GAA
SCHEMBL12326836 0.69 MAPT (0.51) ALDH1A1TSHRTDP1POLBLMNA
SCHEMBL8439090 0.69 THRA (0.49) TSHRGAA
SCHEMBL8014571 0.69 THRA (0.49) TSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ALDH1A1 443/4885TSHR 909/4885TDP1 3350/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 ALDH1A1 437/4885TSHR 911/4885TDP1 3355/4885

“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.