SCHEMBL1730710

SCHEMBL1730710

CC(C)(C)c1cc(Br)cc([N+](=O)[O-])c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
GALR3 O60755 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ERN1 O75460 1/20 0.54
GPR35 Q9HC97 5/20 0.51
ALDH1A1 P00352 4/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
SNCA P37840 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TTR P02766 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL27001787 0.83 ERN1 (0.54) MEN1KMT2AHTTL3MBTL1ERN1
SCHEMBL4144580 0.81 ERN1 (0.69) MEN1KMT2AHTTL3MBTL1ERN1
Dinoterb SCHEMBL29487271 0.81 KMT2A (0.79) MEN1KMT2AHTTL3MBTL1GALR3
Dinoterb SCHEMBL53794 0.81 KMT2A (0.79) MEN1KMT2AHTTL3MBTL1GALR3
SCHEMBL17500084 0.81 GPR35 (0.69) MEN1KMT2AHTTL3MBTL1GALR3
SCHEMBL397532 0.81 GPR35 (0.62) MEN1KMT2AHTTL3MBTL1GALR3
Dinoterb SCHEMBL8535102 0.81 KMT2A (0.79) MEN1KMT2AHTTL3MBTL1GALR3
Dinoterb SCHEMBL424259 0.79 KMT2A (0.77) MEN1KMT2AHTTL3MBTL1GALR3
SCHEMBL699420 0.79 MEN1 (0.56) MEN1KMT2AHTTL3MBTL1GALR3
SCHEMBL12678820 0.79 ALDH1A1 (0.40) MEN1KMT2AHTTL3MBTL1GALR3

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1988902-B1 PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2011-11-23 EP claimed
EP-1928861-B1 4- (IH-INDAZOL-5-YL-AMINO)-QUINAZOLINE COMPOUNDS AS ERBB RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2010-11-17 EP claimed
EP-1487806-B1 4-ANILINO QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS ASTRAZENECA AB (SE) 2010-07-07 EP claimed
EP-2697197-B1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORGAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2015-06-03 EP disclosed
US-8946446-B2 Pyrrolo sulfonamide compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-γ (ROR-γ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases PHENEX PHARMACEUTICALS AG (DE) 2015-02-03 US disclosed
US-20140142082-A1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR-GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2014-05-22 US disclosed
EP-2385039-B1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists EISAI R&D MAN CO LTD (JP) 2014-03-12 EP disclosed
EP-2697197-A1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORGAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES Phenex Pharmaceuticals AG (DE) 2014-02-19 EP disclosed
WO-2012139775-A1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORGAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES PHENEX PHARMACEUTICALS AG (DE) 2012-10-18 WO disclosed
EP-2511263-A1 Pyrrolo sulfonamide compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases Phenex Pharmaceuticals AG (DE) 2012-10-17 EP disclosed
EP-1614680-B1 Process for preparing 2-iminopyrrolidine derivatives EISAI R&D MAN CO LTD (JP) 2011-12-21 EP 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 (3 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 MEN1 891/4885KMT2A 2082/4885HTT 270/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 MEN1 859/4885KMT2A 2110/4885HTT 272/4885
US-20140142082-A1 PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR-GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES RORA, RORB, RORC MEN1 4811/4885KMT2A 1621/4885HTT 4323/4885

“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.