SCHEMBL1542233

SCHEMBL1542233

COc1c([N+](=O)[O-])cc(Br)cc1C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
TSHR P16473 1/20 0.59
TPMT P51580 1/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
GALR3 O60755 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ERN1 O75460 1/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PTGS2 P35354 1/20 0.36
G6PD P11413 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
APOBEC3G Q9HC16 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
SCHEMBL11393390 0.84 TPMT (0.49) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL14200099 0.82 ALDH1A1 (0.60) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL26218849 0.82 ALDH1A1 (0.65) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL13376134 0.82 ALDH1A1 (0.60) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL703552 0.81 ALDH1A1 (0.59) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL2088203 0.80 TUBB4A (0.49) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL1304740 0.78 PTGS2 (0.50) ALDH1A1TDP1TSHRSMN1; SMN2MAPT
SCHEMBL5361776 0.78 ALDH1A1 (0.56) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL17378984 0.78 ALDH1A1 (0.73) ALDH1A1TDP1TSHRTPMTMEN1
SCHEMBL17378887 0.77 ALDH1A1 (0.58) ALDH1A1TDP1TSHRTPMTMEN1

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 26 patents — showing the first 20. 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
US-8273773-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-09-25 US disclosed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 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
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 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
CN-1321996-C Process for producing 2-iminopyrrolidine derivative SANITATION STUFF R & D MANAGE (JP) 2007-06-20 CN disclosed
CN-1754880-A Process for preparing 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2006-04-05 CN disclosed
CN-1243735-C 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2006-03-01 CN disclosed
CN-1733725-A Process for preparing 2-iminopyrrolidine derivatives EISAI CO LTD (JP) 2006-02-15 CN 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
CN-1503784-A 2-iminopyrrolidine derivatives ������������ʽ���� 2004-06-09 CN 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 443/4885TDP1 3350/4885TSHR 909/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 ALDH1A1 437/4885TDP1 3355/4885TSHR 911/4885

“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.