SCHEMBL566629

SCHEMBL566629

O=C(N1CCc2ccc(I)cc2CC1)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.58
ESR2 Q92731 7/20 0.58
HDAC6 Q9UBN7 2/20 0.45
PKM P14618 1/20 0.42
ABHD6 Q9BV23 4/20 0.41
AKR1C3 P42330 2/20 0.39
AKR1C1 Q04828 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CCR2 P41597 1/20 0.37
ADRA2A P08913 1/20 0.37
PNMT P11086 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL2616863 0.91 ESR1 (0.72) ESR1ESR2HDAC6PKMABHD6
SCHEMBL373697 0.83 ESR2 (0.83) ESR1ESR2HDAC6ABHD6CA1
SCHEMBL373718 0.81 ESR1 (0.58) ESR1ESR2HDAC6PKMABHD6
SCHEMBL7849236 0.81 ESR2 (0.58) ESR1ESR2HDAC6PKMABHD6
SCHEMBL27176737 0.81 ESR1 (0.58) ESR1ESR2HDAC6PKMABHD6
SCHEMBL1787936 0.81 ABHD6 (0.60) ESR1ESR2HDAC6PKMABHD6
SCHEMBL2585109 0.81 ESR1 (0.62) ESR1ESR2HDAC6PKMABHD6
SCHEMBL7423258 0.80 ESR1 (0.57) ESR1ESR2HDAC6PKMABHD6
SCHEMBL506139 0.80 ESR1 (0.59) ESR1ESR2ABHD6ADRA2A
SCHEMBL1790256 0.79 ESR1 (0.56) ESR1ESR2HDAC6PKMABHD6

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 16 patents. 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
US-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
US-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-05 US disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO disclosed
WO-2008071646-A1 NEW PYRIDAZINE DERIVATIVES WITH MCH ANTAGONISTIC ACTIVITY AND MEDICAMENTS COMPRISING THESE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 WO 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
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
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-20100197908-A1 Pyridazine Derivatives with MCH Antagonistic Activity and Medicaments Comprising These Compounds MCHR1, MCHR2, MC5R ESR1 1819/4885ESR2 699/4885HDAC6 2823/4885
US-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 ESR1 1004/4885ESR2 958/4885HDAC6 2352/4885
US-20240307409-A1 ARGININE METHYLTRANSFERASE INHIBITOR AND USE THEREOF PRMT1, PRMT7, PRMT8 ESR1 4186/4885ESR2 3358/4885HDAC6 988/4885

“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.