SCHEMBL720157

SCHEMBL720157

O=C(N1CCc2ccc([N+](=O)[O-])cc2CC1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.53
ESR2 Q92731 4/20 0.53
HPGD P15428 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PNMT P11086 4/20 0.44
RAB9A P51151 2/20 0.44
ADRA2A P08913 2/20 0.44
NPC1 O15118 2/20 0.44
AKR1C3 P42330 2/20 0.43
FAAH O00519 1/20 0.42
MGLL Q99685 1/20 0.42
PKM P14618 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 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
Chloroform SCHEMBL3708759 0.95 ESR1 (0.49) ESR1ESR2HPGDMEN1KMT2A
SCHEMBL29805828 0.92 ESR1 (0.65) ESR1ESR2HPGDMEN1KMT2A
SCHEMBL114156 0.92 ESR1 (0.65) ESR1ESR2HPGDMEN1KMT2A
SCHEMBL3359328 0.84 ESR1 (0.55) ESR1ESR2HPGDMEN1KMT2A
SCHEMBL29987549 0.83 DPP7 (0.52) ESR1ESR2HPGDMEN1KMT2A
SCHEMBL2634496 0.83 DPP7 (0.52) ESR1ESR2HPGDMEN1KMT2A
SCHEMBL17797648 0.82 HPGD (0.51) HPGDMEN1KMT2APNMTRAB9A
SCHEMBL721253 0.82 ESR1 (0.51) ESR1ESR2HPGDRAB9APKM
SCHEMBL13012424 0.81 ESR1 (0.49) ESR1ESR2HPGDMEN1KMT2A
SCHEMBL2310023 0.81 ALDH1A1 (0.55) HPGDMEN1KMT2APNMTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240307409-A1 ARGININE METHYLTRANSFERASE INHIBITOR AND USE THEREOF CYTOSINLAB THERAPEUTICS CO., LTD. (CN) 2024-09-19 US disclosed
EP-4342878-A1 ARGININE METHYLTRANSFERASE INHIBITOR AND USE THEREOF Cytosinlab Therapeutics Co., Ltd. (CN) 2024-03-27 EP disclosed
WO-2022242696-A1 ARGININE METHYLTRANSFERASE INHIBITOR AND USE THEREOF 上海赛岚生物科技有限公司 2022-11-24 WO disclosed
WO-2022188823-A1 TRICYCLIC HPK1 INHIBITOR AND USE THEREOF 山东轩竹医药科技有限公司 2022-09-15 WO disclosed
EP-2938345-B1 BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ABT HOLDING CO (US) 2018-08-22 EP disclosed
US-9676781-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-06-13 US disclosed
US-9284277-B2 Benzazepines as serotonin 5-HT2C receptor ligands and uses thereof ABT HOLDING COMPANY (US) 2016-03-15 US disclosed
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-09-10 US disclosed
US-9062034-B2 Substituted glycinamides, process for their manufacture and use thereof as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-23 US disclosed
US-20140194411-A1 BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF ABT HOLDING COMPANY (US) 2014-07-10 US disclosed
WO-2003068752-A1 BENZENESULFONAMIDE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2003-08-21 WO disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP disclosed
EP-1308513-A1 USE OF POLYPEPTIDE Takeda Chemical Industries, Ltd. (JP) 2003-05-07 EP disclosed
US-5827849-A HAVING INHIBITORY EFFECT ON INFLAMMATION AND BONE DEGRADATION, ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASIS-INHIBITING EFFECT KARL THOMAE GMBH (DE) 1998-10-27 US disclosed
EP-0612741-B1 Cyclic derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-06-10 EP disclosed
EP-0777667-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT Dr. Karl Thomae GmbH (DE) 1997-06-11 EP disclosed
US-5612335-A ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART KARL THOMAE GMBH (DE) 1997-03-18 US disclosed
US-5519036-A IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION KARL THOMAE GMBH (DE) 1996-05-21 US disclosed
WO-1996005194-A1 CYCLIC BENZAZEPINE UREA DERIVATIVES WITH AGGREGATION-INHIBITING EFFECT DR. KARL THOMAE GMBH (DE) 1996-02-22 WO disclosed
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 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-20140194411-A1 BENZAZEPINES AS SEROTONIN 5-HT2C RECEPTOR LIGANDS AND USES THEREOF HTR2C, HTR2A, HTR5A ESR1 772/4885ESR2 489/4885HPGD 2902/4885
US-20150252050-A1 NEW SUBSTITUTED GLYCINAMIDES, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS PGM2, MGAM, GRM1 ESR1 2635/4885ESR2 2553/4885HPGD 1932/4885
US-20240307409-A1 ARGININE METHYLTRANSFERASE INHIBITOR AND USE THEREOF PRMT1, PRMT7, PRMT8 ESR1 4186/4885ESR2 3358/4885HPGD 2408/4885

“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.